SCHEMBL9960367

SCHEMBL9960367

CN(C)CCNc1ncc(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2C19 P33261 1/20 0.43
MKNK1 Q9BUB5 1/20 0.40
DNM2 P50570 5/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
GAA P10253 1/20 0.37
ALPG P10696 1/20 0.37

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
SCHEMBL21513657 0.89 IGF1R (0.44) NPC1RAB9A
SCHEMBL11463729 0.81 CYP2C19 (0.43) RAB9ACYP2C19MKNK1DNM2HRH3
SCHEMBL12633603 0.81 CYP2C19 (0.43) EGFRCYP2C19MKNK1DNM2P2RX3
SCHEMBL13733509 0.81 HRH3 (0.47) EGFRCYP2C19MKNK1DNM2P2RX3
SCHEMBL5596779 0.79 CYP2C19 (0.39) EGFRCYP2C19MKNK1DNM2P2RX3
SCHEMBL10293545 0.78 NPC1 (0.47) NPC1RAB9ACYP2C19
SCHEMBL5622381 0.78 ALDH1A1 (0.62) CYP2C19MKNK1DNM2HRH3HRH4
SCHEMBL15828790 0.77 CYP2C19 (0.56) EGFRNPC1RAB9ACYP2C19DNM2
SCHEMBL24218536 0.76 HDAC3 (0.57)
SCHEMBL5505032 0.76 EGFR (0.53) EGFRMKNK1DNM2P2RX3P2RX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 EP disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 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 (3 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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS EGFR 302/4885NPC1 3644/4885RAB9A 1340/4885
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R EGFR 252/4885NPC1 1964/4885RAB9A 1902/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS EGFR 302/4885NPC1 3644/4885RAB9A 1340/4885

“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.