SCHEMBL16012111

SCHEMBL16012111

Nc1cnc(Cl)nc1Nc1ccc(I)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.38
▸ GRM1 Q13255 1/20 0.38
▸ BRAF P15056 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ BCL6 P41182 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ STK17B O94768 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ TRPA1 O75762 1/20 0.33

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
SCHEMBL16012247 0.86 TDO2 (0.44) SYKGRM1BRAFMAPK1EGFR
SCHEMBL16012244 0.80 CCNT1 (0.43) SYKEGFRBCL6KMT2AMEN1
SCHEMBL15146279 0.80 AURKA (0.47) SYKEGFRBCL6KMT2AMEN1
SCHEMBL16012714 0.79 PIN1 (0.62) SYKMAPK1KMT2AMEN1ALDH1A1
SCHEMBL6507541 0.76 ADORA3 (0.46) EGFRBCL6KMT2AMEN1PIN1
SCHEMBL656737 0.74 SYK (0.55) SYKBCL6KMT2AALDH1A1L3MBTL1
SCHEMBL16012862 0.74 MEN1 (0.48) MAPK1PIK3CAEGFRBCL6KMT2A
SCHEMBL2411693 0.74 AURKA (0.53) SYKEGFRBCL6KMT2AMEN1
SCHEMBL16264851 0.74 MEN1 (0.45) MAPK1EGFRBCL6KMT2AMEN1
SCHEMBL24654519 0.73 PIN1 (0.57) SYKMAPK1EGFRBCL6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617266-B2 Imidazopyrimidine derivatives MERCK PATENT GMBH (DE) 2017-04-11 — — US disclosed
US-9617266-B2 Imidazopyrimidine derivatives MERCK PATENT GMBH (DE) 2017-04-11 — — US disclosed
US-9617266-B2 Imidazopyrimidine derivatives MERCK PATENT GMBH (DE) 2017-04-11 — — US disclosed
EP-2964648-B1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2016-11-16 — — EP disclosed
EP-2964648-B1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2016-11-16 — — EP disclosed
EP-2964648-A1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS Merck Patent GmbH (DE) 2016-01-13 — — EP disclosed
US-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-07 — — US disclosed
US-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-07 — — US disclosed
US-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-07 — — US disclosed
WO-2014135245-A1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2014-09-12 — — WO disclosed
WO-2014135245-A1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2014-09-12 — — 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 (1 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-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES EIF2AK4, GCN1, EIF4A2 SYK 4395/4885GRM1 546/4885BRAF 1550/4885

“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.

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