SCHEMBL949897

SCHEMBL949897

[c]1ncccc1CCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.40
CXCR4 P61073 1/20 0.40
HTT P42858 1/20 0.40
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.39
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A13 Q16696 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1481687 0.85 CXCR4 (0.49) KMT2AMEN1CXCR4HTTCYP2C19
SCHEMBL947471 0.76 NPC1 (0.48) KMT2AMEN1GAACYP2C19ALDH1A1
SCHEMBL930349 0.76 MEN1 (0.48) POLBKMT2AMEN1CYP2C19LMNA
SCHEMBL948309 0.75 CYP2D6 (0.52) SIGMAR1HTTCYP2C19LMNAALDH1A1
SCHEMBL950462 0.75 GRM4 (0.39) SIGMAR1POLBGAACXCR4CYP2C19
SCHEMBL5683250 0.74
SCHEMBL933304 0.74 KDM4E (0.51) SIGMAR1POLBKMT2AGAACYP2C19
SCHEMBL1741859 0.73 SIGMAR1 (0.56) SIGMAR1POLBKMT2AMEN1HTT
SCHEMBL951207 0.73 POLB (0.41) SIGMAR1POLBKMT2ACYP2C19LMNA
SCHEMBL21177162 0.71 SIGMAR1 (0.49) SIGMAR1POLBKMT2AMEN1CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP disclosed
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP disclosed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US disclosed
EP-2532659-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy Pathway Therapeutics, Inc. (US) 2012-12-12 EP disclosed
EP-2451802-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-05-16 EP disclosed
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 US disclosed
WO-2011005119-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 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-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY TYMP, TYMS, CCNI SIGMAR1 3854/4885POLB 165/4885KMT2A 3023/4885

“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.