SCHEMBL9911124

SCHEMBL9911124

CCc1ccnc2ccncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 3/20 0.40
CYP2C8 P10632 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2A6 P11509 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP2C19 P33261 3/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
CCNC P24863 5/20 0.37
CDK8 P49336 5/20 0.37
KDM4C Q9H3R0 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AOC1 P19801 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL8277937 0.86 KDM4C (0.46) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL23841191 0.80 LOXL2 (0.37) LOXL2SLC22A12CCNCCDK8EGFR
SCHEMBL21849303 0.80 LOXL2 (0.37) LOXL2SLC22A12CCNCCDK8EGFR
SCHEMBL805503 0.78 LOXL2 (0.64) CYP2D6LOXL2CYP1A2CYP3A4LMNA
SCHEMBL19725755 0.75 KDM5A (0.41) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
Bromide SCHEMBL10672971 0.74 LOXL2 (0.60) CYP2D6LOXL2CYP1A2CYP3A4LMNA
SCHEMBL15067401 0.74 TBXAS1 (0.40) SLC22A12CCNCCDK8
SCHEMBL277030 0.74 SLC22A12 (0.42) SLC22A12CCNCCDK8KDM4CEGFR
SCHEMBL3147611 0.74 CCR1 (0.46) SLC22A12CCNCCDK8CYP1A2EGFR
SCHEMBL877689 0.72 CYP2E1 (0.48) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6

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
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-9902722-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20170183340-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-29 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 US disclosed
US-8212041-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-03 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 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 (6 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET CYP2E1 74/4885CYP2C8 218/4885CYP2D6 190/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET CYP2E1 74/4885CYP2C8 218/4885CYP2D6 190/4885
US-20170183340-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS CYP2E1 4333/4885CYP2C8 3352/4885CYP2D6 4537/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2E1 1062/4885CYP2C8 990/4885CYP2D6 625/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET CYP2E1 74/4885CYP2C8 218/4885CYP2D6 190/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET CYP2E1 74/4885CYP2C8 218/4885CYP2D6 190/4885

“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.