SCHEMBL170830

SCHEMBL170830

c1ccc(Nc2ccnc3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.73
FADS1 O60427 1/20 0.69
EGFR P00533 1/20 0.69
HTT P42858 1/20 0.67
ALK Q9UM73 5/20 0.66
DNMT1 P26358 4/20 0.63
DNMT3A Q9Y6K1 3/20 0.63
HDAC3 O15379 1/20 0.63
ACHE P22303 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
DNMT3L Q9UJW3 1/20 0.63
HTR1A P08908 1/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59

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
SCHEMBL30420824 1.00 ERBB2 (0.73) ERBB2FADS1EGFRHTTALK
SCHEMBL15923366 0.90 ALK (0.72) ERBB2FADS1EGFRHTTALK
SCHEMBL31197381 0.90 ALK (0.72) ERBB2FADS1EGFRHTTALK
SCHEMBL17194814 0.89 MEN1 (0.62) ERBB2FADS1EGFRHTTALK
SCHEMBL5306062 0.89 DNMT1 (0.68) ERBB2FADS1EGFRHTTALK
SCHEMBL6752938 0.88 HTR1A (0.68) ERBB2FADS1EGFRHTTDNMT1
SCHEMBL15673390 0.86 ERBB2 (0.66) ERBB2FADS1EGFRHTTDNMT1
SCHEMBL528895 0.86 ERBB2 (0.61) ERBB2FADS1EGFRHTTALK
SCHEMBL15879950 0.86 ERBB2 (0.66) ERBB2FADS1EGFRHTTDNMT1
SCHEMBL12240670 0.86 HTT (0.68) ERBB2FADS1EGFRHTTDNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466211-B N-phenylquinoline-4-amine compound and application thereof 中国人民解放军空军军医大学 2024-02-23 CN claimed
CN-115466211-A N-phenylquinoline-4-amine compound and application thereof 中国人民解放军空军军医大学 2022-12-13 CN claimed
EP-2678052-B1 JAB1 BLOCKING COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO UNIV EMORY (US) 2018-09-26 EP claimed
CN-107417735-A New E GFR and DNA double target spot ruthenium class anti-tumor complex a kind of molecular design method 浙江农林大学 2017-12-01 CN claimed
US-20150374694-A1 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2015-12-31 US claimed
WO-2014130411-A9 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-10-16 WO claimed
WO-2014130411-A1 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-08-28 WO claimed
US-20130344165-A1 JAB1 INHIBITORY COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-12-26 US claimed
WO-2012116137-A2 JAB1 BLOCKING COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-08-30 WO claimed
US-20250255857-A1 METHODS OF TREATING ANDROGEN RECEPTOR-INDEPENDENT PROSTATE CANCER FOGHORN THERAPEUTICS INC. 2025-08-14 US disclosed
US-12377194-B2 JAB1 inhibitory compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2025-08-05 US disclosed
EP-4050005-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-12-25 EP disclosed
EP-4399202-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2024-07-17 EP disclosed
CN-115466211-B N-phenylquinoline-4-amine compound and application thereof 中国人民解放军空军军医大学 2024-02-23 CN disclosed
WO-1989008105-A1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-08 WO disclosed
WO-1989008104-A1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-08 WO disclosed
WO-1989008112-A1 THIENOPYRIDINES, PREPARATION, INTERMEDIATES AND PHARMACEUTICAL COMPOSITIONS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-08 WO disclosed
EP-0331357-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-06 EP disclosed
EP-0330485-A1 4-Amino-3-acyl quinoline derivatives and their use as inhibitors of gastric acid secretion SmithKline Beecham Intercredit B.V. (NL) 1989-08-30 EP disclosed
CN-1034925-A Quinoline, quinazoline and cinnoline LILLY CO ELI (US) 1989-08-23 CN 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 (2 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-20250255857-A1 METHODS OF TREATING ANDROGEN RECEPTOR-INDEPENDENT PROSTATE CANCER AR, ESRRB, ESRRA ERBB2 633/4885FADS1 1356/4885EGFR 289/4885
US-20150374694-A1 TGF-BETA ENHANCING COMPOSITIONS FOR CARTILAGE REPAIR AND METHODS RELATED THERETO COL2A1, TGFB1, TGFBR1 ERBB2 1537/4885FADS1 3487/4885EGFR 356/4885

“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.