SCHEMBL9928482

SCHEMBL9928482

CC(C)(C)c1ncc2ncccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CCR4 P51679 1/20 0.35
NPC1 O15118 3/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
PRMT5 O14744 1/20 0.33

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
SCHEMBL31391354 0.81 ALDH1A1 (0.43) ALDH1A1ADORA2ACYP3A4KDM4EMAPT
SCHEMBL322264 0.76 CYP1A2 (0.42) ALDH1A1ADORA2AADORA1KDM4EMAPT
SCHEMBL2736740 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4KDM4EMAPTNPC1
SCHEMBL31391337 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4KDM4EMAPTNPC1
SCHEMBL30511326 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4KDM4EMAPTNPC1
SCHEMBL12687212 0.73 ALDH1A1 (0.38) ALDH1A1CYP3A4KDM4EMAPTNPC1
SCHEMBL10220808 0.73 CCNE2 (0.36) ALDH1A1MAPTRAB9APDGFRBPDGFRA
SCHEMBL30523855 0.73 ALDH1A1 (0.52) ALDH1A1CYP3A4KDM4EMAPTNPC1
SCHEMBL25878227 0.72 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL9928477 0.71 ALDH1A1 (0.46) ALDH1A1CYP3A4KDM4EMAPTCCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates PFIZER INC. (US) 2023-08-01 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-20220216426-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-07 US disclosed
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 US disclosed
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 US disclosed
US-8907086-B2 Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. 2013-10-03 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
WO-2012118945-A2 FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-09-07 WO disclosed
WO-2012078448-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS SCHERING CORPORATION (US) 2012-06-14 WO disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-06-18 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 (9 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-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM ALDH1A1 213/4885ADORA2A 139/4885ADORA1 242/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET ALDH1A1 1377/4885ADORA2A 3474/4885ADORA1 4368/4885
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS PDE10A, PDE3A, PDE5A ALDH1A1 338/4885ADORA2A 376/4885ADORA1 425/4885
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS MAP3K20, MAP4K2, MAP3K13 ALDH1A1 4524/4885ADORA2A 2562/4885ADORA1 4292/4885
US-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP7, DPP3 ALDH1A1 809/4885ADORA2A 3178/4885ADORA1 3889/4885
US-20220216426-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS NCL, DNMT3A, NUDT1 ALDH1A1 1167/4885ADORA2A 24/4885ADORA1 219/4885
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates SULT1E1, SULT2A1, STS ALDH1A1 2110/4885ADORA2A 3718/4885ADORA1 3780/4885
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB ALDH1A1 4730/4885ADORA2A 2074/4885ADORA1 3525/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ALDH1A1 331/4885ADORA2A 4027/4885ADORA1 2207/4885

“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.