SCHEMBL16012862

SCHEMBL16012862

Nc1cnc(Cl)nc1Nc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ EGFR P00533 3/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ STK17B O94768 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ PIN1 Q13526 3/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ BCL6 P41182 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39

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) MEN1KMT2ARAB9AGAAEGFR
SCHEMBL2411693 0.84 AURKA (0.53) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL16264851 0.84 MEN1 (0.45) MEN1KMT2ARAB9AMAPK1MAPT
SCHEMBL15146279 0.84 AURKA (0.47) MEN1KMT2ARAB9AEGFRNPC1
SCHEMBL16012244 0.84 CCNT1 (0.43) MEN1KMT2AEGFRMKNK1PIN1
SCHEMBL24654519 0.83 PIN1 (0.57) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL6642753 0.83 AURKA (0.51) MEN1KMT2AMAPK1ALDH1A1EGFR
SCHEMBL15147773 0.80 MAPT (0.53) MEN1KMT2ARAB9AMAPK1MAPT
SCHEMBL16246107 0.79 MEN1 (0.41) MEN1KMT2ARAB9AMAPTGAA
SCHEMBL16022207 0.78 EGFR (0.50) EGFRPIN1

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 8 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
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
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 MEN1 2700/4885KMT2A 3664/4885RAB9A 1887/4885

“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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