SCHEMBL949876

SCHEMBL949876

[c]1cnc(CN2CCOCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2A13 Q16696 5/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL747004 0.84 HRH3 (0.38) HRH3ALDH1A1CYP2C19
SCHEMBL11685688 0.70 ALDH1A1 (0.41) CXCR4HTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL952226 0.70 ALOX15 (0.55) CXCR4HTTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL746153 0.69 NPC1 (0.40) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL5481499 0.68 HTT (0.51) CXCR4HTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL3102187 0.68 SMN1; SMN2 (0.46) CXCR4HTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL18641443 0.67 SMN1; SMN2 (0.43) CXCR4HTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL18641434 0.67 SMN1; SMN2 (0.43) CXCR4HTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL26759416 0.67 SMN1; SMN2 (0.46) CXCR4HTTSMN1; SMN2HRH3ALDH1A1
SCHEMBL18641356 0.67 SMN1; SMN2 (0.43) CXCR4HTTSMN1; SMN2HRH3ALDH1A1

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 CXCR4 1790/4885HTT 4496/4885SMN1; SMN2 3760/4885

“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.