SCHEMBL949299

SCHEMBL949299

[c]1nccc(NCCCN2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
RAD52 P43351 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C19 P33261 4/20 0.48
SIGMAR1 Q99720 2/20 0.46
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 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
SCHEMBL952065 0.92 CYP1A2 (0.49) KDM4ELMNANPC1RAB9AKMT2A
SCHEMBL11988213 0.75 DRD2 (0.57) KDM4EGAALMNAPOLBNPC1
SCHEMBL13698127 0.75 ALDH1A1 (0.58) KDM4EGAALMNAPOLBNPC1
SCHEMBL4085131 0.75 CYP3A4 (0.58) KDM4EGAALMNAPOLBNPC1
SCHEMBL948400 0.74 HRH3 (0.50) KDM4ELMNACYP2D6SIGMAR1TSHR
SCHEMBL947613 0.74 SIGMAR1 (0.43) POLBKMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL933304 0.73 KDM4E (0.51) KDM4EGAALMNAPOLBNPC1
SCHEMBL14641717 0.73 LMNA (0.51) KDM4EGAALMNAPOLBNPC1
SCHEMBL6649751 0.73 CYP2C19 (0.65) KDM4EGAALMNAPOLBNPC1
SCHEMBL950111 0.72 SIGMAR1 (0.39) LMNAPOLBKMT2ANPSR1CYP3A4

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 1167/4885LMNA 3095/4885

“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.