SCHEMBL947613

SCHEMBL947613

[c]1nccc(CCN2CCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.43
▸ POLB P06746 2/20 0.41
▸ CXCR4 P61073 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SCN2A Q99250 1/20 0.36

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
SCHEMBL15416054 0.83 CXCR4 (0.54) CXCR4KMT2AALDH1A1MEN1HRH3
SCHEMBL7371284 0.76 CXCR4 (0.46) SIGMAR1POLBCXCR4CNR1L3MBTL3
SCHEMBL947030 0.76 SIGMAR1 (0.47) SIGMAR1CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL952065 0.76 CYP1A2 (0.49) SIGMAR1CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL948400 0.75 HRH3 (0.50) SIGMAR1CYP2D6ALDH1A1CYP1A2CHRM2
SCHEMBL948360 0.75 LMNA (0.37) SIGMAR1POLBCYP3A4CYP2D6CYP2C19
SCHEMBL949299 0.74 KDM4E (0.48) SIGMAR1POLBCYP3A4CYP2D6CYP2C19
SCHEMBL950111 0.73 SIGMAR1 (0.39) SIGMAR1POLBCYP3A4CYP2D6CYP2C19
SCHEMBL6025900 0.72 KDM4E (0.52) SIGMAR1POLBCXCR4ALDH1A1CHRM2
SCHEMBL949897 0.71 SIGMAR1 (0.49) SIGMAR1POLBCXCR4CYP3A4CYP2D6

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 165/4885CXCR4 1790/4885

“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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