SCHEMBL4468892

SCHEMBL4468892

NC(=O)c1nc2c[c]ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
PIN1 Q13526 2/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34

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
SCHEMBL4005801 0.80 TOP2A (0.36) MAPT
SCHEMBL2565679 0.76 MAOB (0.43) CYP3A4MAPTNPC1RAB9A
SCHEMBL29688264 0.75 AURKA (0.59) CYP3A4CCND3CDK6AURKAJAK2
SCHEMBL828618 0.75 AURKA (0.59) CYP3A4CCND3CDK6AURKAJAK2
Hydrochloric Acid SCHEMBL5008172 0.74 AURKA (0.58) CYP3A4CCND3CDK6AURKAJAK2
Hydrochloric Acid SCHEMBL2674335 0.74 AURKA (0.58) CYP3A4CCND3CDK6AURKAJAK2
SCHEMBL6507288 0.73 GSR (0.38)
SCHEMBL2562588 0.73
SCHEMBL2564874 0.73 ALDH1A1 (0.53) ABL1MAPT
SCHEMBL19745275 0.71 SIRT3 (0.40) CCND3CDK6AURKAJAK2ABL1

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-9249159-B2 Composition for treating hepatitis C virus, regulating phosphorylation of replicase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-02-02 US claimed
US-20140219960-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-08-07 US claimed
WO-2013002484-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE 연세대학교 산학협력단 (KR) 2013-01-03 WO claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
US-9249159-B2 Composition for treating hepatitis C virus, regulating phosphorylation of replicase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-02-02 US disclosed
US-20140219960-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-08-07 US disclosed
WO-2013002484-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE 연세대학교 산학협력단 (KR) 2013-01-03 WO disclosed
US-7553848-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-30 US disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-20050165046-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 US 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 (4 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP3A4 403/4885PIN1 4003/4885CCND3 2853/4885
US-20050165046-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CYP3A4 1591/4885PIN1 1492/4885CCND3 3722/4885
US-20140219960-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE PRKCA, EIF2AK2, PRKCB CYP3A4 4173/4885PIN1 3539/4885CCND3 3842/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP3A4 403/4885PIN1 4003/4885CCND3 2853/4885

“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.