SCHEMBL580431

SCHEMBL580431

O=C1Cc2c(Cl)ccnc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.47
CDK5R1 Q15078 8/20 0.47
CCNB2 O95067 7/20 0.47
CDK1 P06493 7/20 0.47
CCNB1 P14635 7/20 0.47
CCNB3 Q8WWL7 7/20 0.47
GSK3B P49841 10/20 0.41
GSK3A P49840 5/20 0.38
AHR P35869 3/20 0.38
CMA1 P23946 1/20 0.38
DAO P14920 1/20 0.38
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37

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
SCHEMBL3009275 0.83 DAO (0.37) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL27876354 0.79 CCNB2 (0.33) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL11030452 0.78 MB (0.42) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2398708 0.77 SRC (0.42) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL21620528 0.77 CDK5 (0.38) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL5893879 0.77 CDK5 (0.44) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2782735 0.77 GSK3B (0.40) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL22578302 0.77 CDK5 (0.39) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL9214980 0.76 CDK5 (0.47) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4974211 0.74 CDK5 (0.37) CDK5CDK5R1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES INC 2025-03-27 US disclosed
EP-4444721-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
WO-2024125668-A1 HETEROCYCLIC SUBSTITUTED PENTA-SIX-MEMBERED HETEROARYL DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION AND PREPARATION METHOD THEREFOR 上海海雁医药科技有限公司 2024-06-20 WO disclosed
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
CN-108290843-B Biaryl kinase inhibitors 百时美施贵宝公司 2021-08-24 CN disclosed
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO disclosed
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO disclosed
EP-3356330-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-11-20 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed
EP-1244672-B1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2005-07-20 EP disclosed
US-6908930-B2 4-substituted 7-AZA-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. (US) 2005-06-21 US disclosed
US-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2004-03-18 US disclosed
US-6610688-B2 For therapy of blood vessel proliferative disorders; fibrotic disorders; mesangial cell proliferative disorders; metabolic disorders; allergies; asthma; thrombosis; nervous system diseases; and cancer SUGEN, INC. 2003-08-26 US disclosed
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2002-12-05 US disclosed
EP-1244672-A1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-10-02 EP disclosed
WO-2001046196-A1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-06-28 WO 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 (5 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-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CSNK1A1, CDK2 CDK5 29/4885CDK5R1 70/4885CCNB2 758/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 CDK5 49/4885CDK5R1 51/4885CCNB2 15/4885
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CDK7, CDK2 CDK5 20/4885CDK5R1 18/4885CCNB2 772/4885
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS DYRK2, DYRK1A, DYRK1B CDK5 90/4885CDK5R1 164/4885CCNB2 2510/4885
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK CDK5 52/4885CDK5R1 78/4885CCNB2 1531/4885

“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.