SCHEMBL16022207

SCHEMBL16022207

CS(=O)(=O)c1ccc(Nc2nc(Cl)ncc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.50
▸ PIP4K2C Q8TBX8 6/20 0.46
▸ PIP4K2A P48426 2/20 0.46
▸ KDM1A O60341 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ PIN1 Q13526 1/20 0.43
▸ CCNT1 O60563 1/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ CA12 O43570 2/20 0.42

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
SCHEMBL16264851 0.81 MEN1 (0.45) EGFRPIN1AURKA
SCHEMBL6507541 0.81 ADORA3 (0.46) EGFRPIN1KDR
SCHEMBL17446343 0.80 PIN1 (0.70) EGFRPIP4K2CPIP4K2ATRPV1PIN1
SCHEMBL16012862 0.78 MEN1 (0.48) EGFRPIN1
SCHEMBL15146279 0.78 AURKA (0.47) EGFRPIN1AURKASYKKDR
SCHEMBL2411693 0.78 AURKA (0.53) EGFRPIN1CDK1AURKAAURKB
SCHEMBL16012244 0.78 CCNT1 (0.43) EGFRPIN1CCNT1CDK2CDK9
SCHEMBL24654519 0.77 PIN1 (0.57) EGFRPIN1CDK1CDK2CDK5
SCHEMBL15147773 0.77 MAPT (0.53) EGFRAURKASYK
SCHEMBL17630880 0.72 AURKA (0.53) EGFRPIP4K2CPIP4K2ATRPV1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855268-B2 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2018-01-02 — — US disclosed
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
WO-2014135244-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER 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-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives EIF2AK4, GCN1, GTF2I EGFR 3108/4885PIP4K2C 1042/4885PIP4K2A 765/4885

“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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