SCHEMBL13765802

SCHEMBL13765802

CC(C)(C)c1ccc(-c2ccccn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
LMNA P02545 3/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
P4HTM Q9NXG6 2/20 0.54
POLB P06746 2/20 0.54
CYP1A2 P05177 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
NPC1 O15118 3/20 0.52
ALOX15 P16050 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52

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
SCHEMBL30492580 1.00 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL45857 0.85 CCR1 (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL20623117 0.79 ALOX5AP (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30479907 0.78 TRPV1 (0.66) KDM4ELMNACCR1CCR5CCR8
SCHEMBL38654 0.78 TRPV1 (0.66) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17589449 0.78 ALOX5AP (0.38) LMNACCR1CCR5CCR8RAB9A
SCHEMBL12245311 0.78 LDHA (0.47) TRPV1MEN1KMT2AMAPTNPSR1
SCHEMBL29958189 0.78 LDHA (0.47) TRPV1MEN1KMT2AMAPTNPSR1
SCHEMBL30559680 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29750782 0.78 CCR1 (0.39) KDM4ELMNACCR1CCR5CCR8

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 US disclosed
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
CN-111518145-B Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof 荆楚理工学院 2023-06-20 CN disclosed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US disclosed
US-10950796-B2 Light-emitting element and display device Shanghai Tianma AM-OLED Co., Ltd. (CN) 2021-03-16 US disclosed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN disclosed
US-20190051834-A1 LIGHT-EMITTING ELEMENT AND DISPLAY DEVICE WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2019-02-14 US disclosed
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8901142-B2 Fused tricyclic compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-19 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-7282586-B1 Dipyridine-based compound and the use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-10-16 US 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 (8 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-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPTOR KDM4E 1196/4885LMNA 4214/4885CCR1 4298/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA KDM4E 3538/4885LMNA 2095/4885CCR1 3892/4885
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM KDM4E 1666/4885LMNA 1530/4885CCR1 3089/4885
US-10950796-B2 Light-emitting element and display device POTEE, TRPA1, PPOX KDM4E 3640/4885LMNA 1321/4885CCR1 4259/4885
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF XPO4, OR10J3, EPB41 KDM4E 552/4885LMNA 2595/4885CCR1 335/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA KDM4E 3538/4885LMNA 2095/4885CCR1 3892/4885
US-20190051834-A1 LIGHT-EMITTING ELEMENT AND DISPLAY DEVICE POTEE, TRPA1, PPOX KDM4E 3640/4885LMNA 1321/4885CCR1 4259/4885
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SLC43A1, SLC7A5, L1CAM KDM4E 1666/4885LMNA 1530/4885CCR1 3089/4885

“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.