SCHEMBL4175837

SCHEMBL4175837

Nc1cccc(Nc2nc(Cl)ncc2Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
IGF1R P08069 5/20 0.51
EGFR P00533 5/20 0.49
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDK1 P06493 1/20 0.45
SIRT7 Q9NRC8 1/20 0.44
AHR P35869 1/20 0.43
PIN1 Q13526 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41

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
SCHEMBL4175833 0.85 BCL6 (0.56) SYKMEN1KMT2AEGFRKDM4E
SCHEMBL9945496 0.84 EGFR (0.61) SYKMEN1KMT2AIGF1REGFR
SCHEMBL655633 0.84 SYK (0.72) SYKMEN1KMT2AIGF1REGFR
SCHEMBL1774193 0.83 IGF1R (0.68) SYKMEN1KMT2AIGF1REGFR
SCHEMBL9923767 0.82 SYK (0.51) SYKMEN1KMT2AEGFRKDM4E
SCHEMBL656259 0.82 SYK (0.72) SYKMEN1KMT2AIGF1REGFR
SCHEMBL4131075 0.81 CTSC (0.56) SYKEGFRLMNAMAPT
SCHEMBL27047622 0.81 MEN1 (0.56) SYKMEN1KMT2AIGF1REGFR
SCHEMBL29860412 0.81 MEN1 (0.56) SYKMEN1KMT2AIGF1REGFR
SCHEMBL15994648 0.80 BTK (0.49) SYKMEN1KMT2AIGF1REGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867824-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2018-01-16 US disclosed
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY 2017-02-02 US disclosed
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY 2017-02-02 US disclosed
US-9375431-B2 2,4-disubstituted pyrimidine compounds useful as kinase inhibtors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-28 US disclosed
US-9375431-B2 2,4-disubstituted pyrimidine compounds useful as kinase inhibtors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-28 US disclosed
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 US disclosed
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 US disclosed
US-8975249-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-03-10 US disclosed
US-8975249-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-03-10 US disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
WO-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 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-20170027937-A1 Heterocyclic Compounds and Uses Thereof ABCG2, CYP3A5, CYP3A43 SYK 2551/4885MEN1 243/4885KMT2A 3534/4885
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 SYK 2551/4885MEN1 243/4885KMT2A 3534/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 SYK 2551/4885MEN1 243/4885KMT2A 3534/4885

“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.