SCHEMBL2076100

SCHEMBL2076100

O=C1Cc2c(ccc(F)c2F)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.43
CMA1 P23946 2/20 0.43
PDK2 Q15119 1/20 0.39
DRD2 P14416 4/20 0.36
GSK3B P49841 4/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
CCNB2 O95067 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
CCNB3 Q8WWL7 3/20 0.36
LMNA P02545 2/20 0.36
PGR P06401 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL25432040 0.82 SRD5A1 (0.41) AHRCMA1
SCHEMBL30542860 0.82 SRD5A1 (0.41) AHRCMA1
SCHEMBL31728734 0.81 AHR (0.41) AHRCMA1PDK2DRD2GSK3B
SCHEMBL19235316 0.81 AHR (0.41) AHRCMA1PDK2DRD2GSK3B
SCHEMBL8545481 0.81 AHR (0.49) AHRCMA1PDK2DRD2GSK3B
SCHEMBL31414332 0.81 AHR (0.49) AHRCMA1PDK2DRD2GSK3B
SCHEMBL23252642 0.81 AHR (0.41) AHRCMA1PDK2DRD2GSK3B
SCHEMBL3136744 0.81 AHR (0.41) AHRCMA1PDK2DRD2GSK3B
SCHEMBL18289479 0.80 AHR (0.50) AHRCMA1PDK2DRD2GSK3B
SCHEMBL3139769 0.79 PGR (0.43) DRD2GSK3BDRD4DRD3CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235362-A1 INDOLINONE COMPOUNDS AS KCa3.1 POTASSIUM CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2025-11-13 WO disclosed
EP-3414247-B1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
US-10618897-B2 Spiroindolinones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-04-14 US disclosed
US-20190071444-A1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-03-07 US disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
CN-101448822-B Substituted pyrazolopyrimidines CEPHALON INC 2013-11-06 CN disclosed
WO-2013149976-A1 INDOLE-PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USES NOSCIRA, S.A. (ES) 2013-10-10 WO disclosed
EP-2647634-A1 Indole-pyrimidine derivatives and their therapeutic uses NOSCIRA, S.A. (ES) 2013-10-09 EP disclosed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors SCRIPPS RESEARCH INSTITUTE, THE 2008-02-21 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US disclosed
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2006-12-21 US disclosed
EP-1686987-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-09 EP disclosed
WO-2005053614-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-06-16 WO disclosed
WO-2005053686-A1 INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-06-16 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 (6 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS AHR 628/4885CMA1 2235/4885PDK2 283/4885
US-10618897-B2 Spiroindolinones as DDR1 inhibitors DDR1, DDR2, DDRGK1 AHR 4003/4885CMA1 3216/4885PDK2 489/4885
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors PHKG1, PHKG2, PRKCH AHR 1416/4885CMA1 2048/4885PDK2 112/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 AHR 707/4885CMA1 1931/4885PDK2 41/4885
US-20190071444-A1 SPIROINDOLINONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 AHR 4003/4885CMA1 3216/4885PDK2 489/4885
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, HIPK1 AHR 3101/4885CMA1 3470/4885PDK2 215/4885

“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.