SCHEMBL12413622

SCHEMBL12413622

CC(C)(C)c1cc(C2CC2)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.46
HCAR3 P49019 1/20 0.42
CCNA2 P20248 10/20 0.40
CDK2 P24941 10/20 0.40
CCNA1 P78396 10/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PDE8B O95263 1/20 0.39
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
DRD4 P21917 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DAO P14920 1/20 0.35

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
SCHEMBL24936178 0.92 HCAR2 (0.45) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL17688929 0.92 HCAR2 (0.49) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL22535481 0.89 MKNK1 (0.49) HCAR2HCAR3HPGDTSHRMKNK1
SCHEMBL22327725 0.88 DAO (0.44) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL24759495 0.85 HCAR2 (0.47) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL21450656 0.82 CCNA2 (0.42) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL1667926 0.82 HCAR2 (0.47) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL15032892 0.76 HTT (0.63) HPGDMEN1KMT2A
SCHEMBL22535529 0.74 NPC1 (0.35) HPGDTSHR
Hydrochloric Acid SCHEMBL3502428 0.73 HCAR2 (0.40) HCAR2HCAR3CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212142-A9 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-07-06 US disclosed
US-20220194924-A1 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-06-23 US disclosed
WO-2022002118-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-01-06 WO disclosed
US-20210198261-A1 AURORA KINASE INHIBITORS AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2021-07-01 US disclosed
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 US disclosed
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications NANTBIOSCIENCE, INC. (US) 2020-09-08 US disclosed
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 US disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-06-07 US disclosed
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-06-07 US disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 US disclosed
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 US disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 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 (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-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK HCAR2 3305/4885HCAR3 2479/4885CCNA2 355/4885
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 HCAR2 135/4885HCAR3 165/4885CCNA2 3871/4885
US-10800760-B2 Trk inhibition NTRK1, NTRK3, NTRK2 HCAR2 1049/4885HCAR3 536/4885CCNA2 2859/4885
US-10738033-B2 Trk inhibition NGF, NGFR, NTRK2 HCAR2 854/4885HCAR3 773/4885CCNA2 1497/4885
US-20230212142-A9 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors CDK1, CDK12, CDK13 HCAR2 3507/4885HCAR3 4052/4885CCNA2 26/4885
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications DCK, TK1, DTYMK HCAR2 3823/4885HCAR3 2807/4885CCNA2 616/4885
US-20210198261-A1 AURORA KINASE INHIBITORS AND USES THEREOF AURKA, AURKC, AURKB HCAR2 4319/4885HCAR3 3876/4885CCNA2 384/4885
US-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP HCAR2 2995/4885HCAR3 2660/4885CCNA2 2087/4885
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK HCAR2 3823/4885HCAR3 2807/4885CCNA2 616/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 HCAR2 3255/4885HCAR3 3937/4885CCNA2 40/4885
US-20220194924-A1 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors CDK1, CDK12, CDK13 HCAR2 3507/4885HCAR3 4052/4885CCNA2 26/4885

“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.