SCHEMBL5770463

SCHEMBL5770463

CC(C)(C)c1ccn2ccnc2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 5/20 0.36
KDM4E B2RXH2 4/20 0.36
RAB9A P51151 4/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 4/20 0.33
HSD17B10 Q99714 2/20 0.33
RCE1 Q9Y256 1/20 0.33
DYRK1A Q13627 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 2/20 0.32
TNKS O95271 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6217514 0.85 GABRA1 (0.33) ALDH1A1NPC1KDM4ERAB9AGAA
SCHEMBL5769993 0.85 GABRA1 (0.39) ALDH1A1NPC1KDM4ERAB9AGAA
SCHEMBL5768555 0.85 GABRA1 (0.33) ALDH1A1NPC1KDM4ERAB9AGAA
SCHEMBL5771081 0.84 KDM4E (0.34) ALDH1A1NPC1KDM4ERAB9AGAA
SCHEMBL5770695 0.81 JAK2 (0.36)
SCHEMBL6218809 0.81 HMGCR (0.32) NPC1RAB9ADYRK1A
SCHEMBL5261097 0.81 GABRA1 (0.44) ALDH1A1NPC1KDM4ERAB9AGAA
SCHEMBL6217363 0.76 PLCG1 (0.38) ALDH1A1NPC1KDM4ERAB9AGAA
SCHEMBL6102107 0.74 ALDH1A1 (0.39) ALDH1A1NPC1KDM4ERAB9AGAA
SCHEMBL13248505 0.72 KDM4E (0.31) KDM4ESMN1; SMN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2021-11-18 US disclosed
US-20210186958-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-06-24 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 US disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6642229-B2 Treatment of adverse neurological conditions MERCK SHARP & DOHME LTD. 2003-11-04 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 (12 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885NPC1 664/4885KDM4E 2957/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885NPC1 664/4885KDM4E 2957/4885
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 ALDH1A1 4269/4885NPC1 1439/4885KDM4E 3631/4885
US-20210186958-A1 GLYCOSIDASE INHIBITORS ENGASE, GAA, GLA ALDH1A1 635/4885NPC1 449/4885KDM4E 1588/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP ALDH1A1 1492/4885NPC1 722/4885KDM4E 3197/4885
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB ALDH1A1 4070/4885NPC1 217/4885KDM4E 1978/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB ALDH1A1 4070/4885NPC1 217/4885KDM4E 1978/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885NPC1 3861/4885KDM4E 595/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885NPC1 664/4885KDM4E 2957/4885
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE ERBB2, EGFR, ERBB3 ALDH1A1 4263/4885NPC1 1451/4885KDM4E 3545/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 ALDH1A1 1573/4885NPC1 691/4885KDM4E 2926/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 ALDH1A1 180/4885NPC1 1623/4885KDM4E 222/4885

“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.