SCHEMBL948461

SCHEMBL948461

[c]1cccnc1NCCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
RAD52 P43351 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.46
HIF1A Q16665 1/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL935029 0.92 L3MBTL1 (0.48) KDM4ENPC1RAB9ALMNAPOLB
SCHEMBL11988213 0.75 DRD2 (0.57) KDM4EGAANPC1RAB9ALMNA
SCHEMBL996592 0.75 NPC1 (0.53) KDM4EGAANPC1RAB9ALMNA
SCHEMBL5591711 0.74 KDM4E (0.46) KDM4EGAANPC1RAB9ALMNA
SCHEMBL5596422 0.73 CDK4 (0.47) KDM4EGAANPC1RAB9ALMNA
SCHEMBL948263 0.73 POLB (0.41) KDM4ENPC1RAB9ALMNAPOLB
SCHEMBL20966396 0.72 TSHR (0.53) KDM4EGAANPC1RAB9ALMNA
SCHEMBL951715 0.71 KDM4E (0.49) KDM4EGAANPC1RAB9ALMNA
SCHEMBL948868 0.71 LMNA (0.39) LMNAPOLBKMT2ANPSR1MAPT
SCHEMBL933304 0.70 KDM4E (0.51) KDM4EGAANPC1RAB9ALMNA

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 KDM4E 2870/4885GAA 1167/4885NPC1 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.