SCHEMBL840433

SCHEMBL840433

c1ccc2c(c1)nc1cnccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.50
LCK P06239 5/20 0.45
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
PARP1 P09874 1/20 0.43
CDK9 P50750 1/20 0.43
MAPK8 P45983 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BRAF P15056 1/20 0.40

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
SCHEMBL30116740 1.00 RAD51 (0.50) RAD51LCKPTPN1PTPN2PARP1
SCHEMBL839837 0.76 ALDH1A1 (0.62) RAD51PTPN1PTPN2ALDH1A1KDM4E
SCHEMBL832572 0.76 KDM4E (0.40) RAD51LCKPARP1CDK9ALDH1A1
SCHEMBL839878 0.76 KDM4E (0.39) RAD51LCKPARP1CDK9ALDH1A1
SCHEMBL832822 0.73 PARP1 (0.37) RAD51PARP1CDK9ALDH1A1KDM4E
SCHEMBL29965863 0.72 KDM4E (0.55) RAD51PTPN1PTPN2CDK9MAPK8
SCHEMBL1417158 0.72 KDM4E (0.55) RAD51PTPN1PTPN2CDK9MAPK8
SCHEMBL7078084 0.72 RAD51 (0.47) RAD51LCKPTPN1PTPN2ALDH1A1
SCHEMBL831025 0.71 ALDH1A1 (0.50) LCKALDH1A1GAAMAPTCYP1A2
SCHEMBL24553487 0.69 PTPN2 (0.51) PTPN1PTPN2PARP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 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 (2 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 RAD51 4679/4885LCK 2852/4885PTPN1 4509/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS RAD51 4696/4885LCK 2867/4885PTPN1 4465/4885

“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.