SCHEMBL101566

SCHEMBL101566

Cc1cnc2cc(F)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.46
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
CHRM4 P08173 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
BACE1 P56817 1/20 0.37
ATM Q13315 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
CASP3 P42574 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
SCHEMBL19674039 0.92 KMT2A (0.48) KMT2AKDM4EPDGFRBPDGFRACHRM4
Ethoxycarbonyl Group SCHEMBL27894122 0.82 TSHR (0.39) KMT2AKDM4ECHRM4CYP11B1CYP11B2
SCHEMBL6844954 0.79 CYP1A2 (0.54) KDM4EBACE1CCNB2CDK1CCNB1
SCHEMBL29639043 0.79 CYP1A2 (0.54) KDM4EBACE1CCNB2CDK1CCNB1
SCHEMBL103875 0.77 ALDH1A1 (0.42) PDGFRBPDGFRACYP11B1CYP11B2CCNB2
SCHEMBL15188256 0.76 CYP1A2 (0.44) KMT2AKDM4EPIK3CAMTOR
SCHEMBL4541045 0.76 CCNB2 (0.37) KDM4EPDGFRBCCNB2CDK1CCNB1
SCHEMBL2616096 0.76 HRH4 (0.55) KMT2AKDM4EPDGFRBPDGFRAHSD17B10
SCHEMBL2629410 0.76 ALDH1A1 (0.46) KMT2AKDM4EPDGFRBPDGFRAATM
SCHEMBL1258593 0.76 ALDH1A1 (0.52) KMT2AKDM4EPDGFRBPDGFRACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
EP-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 WO disclosed
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 WO disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
CN-102993084-A Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2013-03-27 CN disclosed
CN-101001846-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-11-07 CN disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
EP-1196397-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMA INC (US) 2005-08-17 EP disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 US disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 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 (3 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KMT2A 2181/4885KDM4E 1750/4885PDGFRB 1419/4885
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 KMT2A 1071/4885KDM4E 2305/4885PDGFRB 3398/4885
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 KMT2A 2004/4885KDM4E 3864/4885PDGFRB 1584/4885

“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.