SCHEMBL4404606

SCHEMBL4404606

CC(C)(C)c1cccc(-c2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.56
METAP2 P50579 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
CYP2A6 P11509 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30153625 1.00 KIF11 (0.56) KIF11METAP2TRPV1CYP2A6ABL1
SCHEMBL25878105 0.97 KIF11 (0.57) KIF11METAP2TRPV1CYP2A6ABL1
SCHEMBL25878113 0.87 KIF11 (0.50) KIF11METAP2TRPV1CYP2A6ABL1
SCHEMBL19411850 0.85 TRPV1 (0.49) KIF11METAP2TRPV1CYP2A6ABL1
SCHEMBL29637960 0.85 TRPV1 (0.49) KIF11METAP2TRPV1CYP2A6ABL1
SCHEMBL6250035 0.85 TRPV1 (0.49) KIF11METAP2TRPV1CYP2A6ABL1
SCHEMBL2480086 0.85 TRPV1 (0.53) KIF11METAP2TRPV1CYP2A6ABL1
SCHEMBL13484092 0.84 KIF11 (0.58) KIF11METAP2CYP2A6LMNAPOLB
SCHEMBL29380379 0.84 KIF11 (0.58) KIF11METAP2CYP2A6LMNAPOLB
SCHEMBL11927621 0.83 TRPV1 (0.52) KIF11METAP2TRPV1CYP2A6ABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250118-A1 ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-08-10 US disclosed
US-11700768-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-07-11 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230139115-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
US-20230139115-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
US-20230095563-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, ILLUMINATION APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CANON KABUSHIKI KAISHA (JP) 2023-03-30 US disclosed
CN-115557997-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2023-01-03 CN disclosed
WO-2022264759-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2022-12-22 WO disclosed
US-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2021-10-07 US disclosed
US-8993555-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-03-31 US disclosed
US-20140374727-A1 METAL COMPLEX AND LIGHT-EMITTING DEVICE CONTAINING THE METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-25 US disclosed
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-11-06 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
CN-101835745-B Method for producing disulfonic acid compound, asymmetric mannich catalyst, method for producing beta-aminocarbonyl derivative, and disulfonate salt UNIV NAGOYA NAT UNIV CORP 2013-08-28 CN disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
CN-101835745-A Method for producing disulfonic acid compound, asymmetric mannich catalyst, method for producing beta-aminocarbonyl derivative, and novel disulfonate UNIV NAGOYA NAT UNIV CORP 2010-09-15 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KIF11 3513/4885METAP2 2410/4885TRPV1 4826/4885
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM KIF11 3021/4885METAP2 2731/4885TRPV1 988/4885
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 KIF11 4592/4885METAP2 1536/4885TRPV1 1075/4885
US-11700768-B2 Compound and organic light emitting device comprising the same ARL1, ARRB1, CRY1 KIF11 4237/4885METAP2 2010/4885TRPV1 1536/4885
US-20230250118-A1 ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF CRY1, LEF1, PIEZO1 KIF11 2207/4885METAP2 4213/4885TRPV1 175/4885
US-20230139115-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE OR10J3, MLX, RPS4X KIF11 3638/4885METAP2 4470/4885TRPV1 1658/4885
US-20230095563-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, ILLUMINATION APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE L1CAM, ORMDL3, TLL1 KIF11 3793/4885METAP2 2411/4885TRPV1 222/4885
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KIF11 3513/4885METAP2 2410/4885TRPV1 4826/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 KIF11 4748/4885METAP2 2917/4885TRPV1 1310/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KIF11 3869/4885METAP2 4598/4885TRPV1 2198/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B KIF11 4311/4885METAP2 774/4885TRPV1 4615/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.