SCHEMBL16012244

SCHEMBL16012244

Nc1cnc(Cl)nc1Nc1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PIN1 Q13526 3/20 0.41
▸ BCL6 P41182 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ SYK P43405 2/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL6507541 0.87 ADORA3 (0.46) MEN1KMT2APIN1BCL6EGFR
SCHEMBL16012862 0.84 MEN1 (0.48) MEN1KMT2APIN1BCL6EGFR
SCHEMBL2411693 0.84 AURKA (0.53) MEN1KMT2APIN1BCL6EGFR
SCHEMBL15146279 0.84 AURKA (0.47) MEN1KMT2APIN1BCL6EGFR
SCHEMBL16264851 0.84 MEN1 (0.45) MEN1KMT2APIN1BCL6EGFR
SCHEMBL24654519 0.83 PIN1 (0.57) CDK2MEN1KMT2APIN1BCL6
SCHEMBL15147773 0.80 MAPT (0.53) MEN1KMT2AEGFRSYKAURKA
SCHEMBL16012111 0.80 SYK (0.38) MEN1KMT2APIN1BCL6EGFR
SCHEMBL16022207 0.78 EGFR (0.50) CCNT1CDK2CDK9PIN1EGFR
SCHEMBL18830446 0.77 CCNT1 (0.40) CCNT1CCNA2CDK2CDK9CCNA1

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 10 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
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
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
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
EP-2964649-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER Merck Patent GmbH (DE) 2016-01-13 — — EP 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
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 CCNT1 40/4885CCNA2 30/4885CDK2 8/4885

“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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