SCHEMBL952225

SCHEMBL952225

[c]1nc(CN2CCOCC2)cs1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ CXCR4 P61073 1/20 0.50
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ CYP2A13 Q16696 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KCNJ1 P48048 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
SCHEMBL465943 0.84 HRH3 (0.38) SMN1; SMN2CXCR4HRH3ALDH1A1HSD17B10
SCHEMBL15008947 0.82 HRH3 (0.41) SMN1; SMN2HRH3ALDH1A1HSD17B10MEN1
SCHEMBL27984313 0.81 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1ALOX15
SCHEMBL6165901 0.81 POLB (0.43) NPC1RAB9ACYP2A13ALDH1A1
SCHEMBL6168432 0.79 CXCR4 (0.43) CXCR4HRH3ALDH1A1MEN1KMT2A
SCHEMBL2444704 0.73 MAPT (0.43) SMN1; SMN2HTTALDH1A1KMT2AMAPT
SCHEMBL6164716 0.70 CXCR4 (0.56) SMN1; SMN2CXCR4NPC1RAB9AHTT
SCHEMBL743040 0.70 SMN1; SMN2 (0.53) SMN1; SMN2CXCR4NPC1RAB9AHTT
SCHEMBL6167381 0.69 CXCR4 (0.50) SMN1; SMN2CXCR4NPC1RAB9AHTT
SCHEMBL13551047 0.69 SMN1; SMN2 (0.69) SMN1; SMN2CXCR4NPC1RAB9AHTT

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 12 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
EP-1417177-A4 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 — — EP disclosed
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 — — EP disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 — — WO disclosed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 — — EP disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 — — 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 SMN1; SMN2 3760/4885CXCR4 1790/4885NPC1 2653/4885

“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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