SCHEMBL460135

SCHEMBL460135

Nc1nccc(-c2ccccn2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.62
AURKA O14965 1/20 0.62
PRKACA P17612 1/20 0.62
ADORA2A P29274 1/20 0.62
KDM4E B2RXH2 7/20 0.61
LMNA P02545 3/20 0.61
ALOX15 P16050 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
CCR1 P32246 3/20 0.61
CCR5 P51681 3/20 0.61
CCR8 P51685 3/20 0.61
TP53 P04637 2/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALPL P05186 1/20 0.61
ALPI P09923 1/20 0.61
ALPG P10696 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP1A2 P05177 1/20 0.58

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
SCHEMBL29462395 1.00 HSP90AA1 (0.62) HSP90AA1AURKAPRKACAADORA2AKDM4E
SCHEMBL28586950 0.98 HSP90AA1 (0.60) HSP90AA1AURKAPRKACAADORA2AKDM4E
SCHEMBL23071629 0.85 HSP90AA1 (0.63) HSP90AA1AURKAPRKACAADORA2AKDM4E
Dipyridyl SCHEMBL29167113 0.82 KDM4E (0.79) HSP90AA1KDM4ELMNAALOX15L3MBTL1
SCHEMBL1181563 0.82 KDM4E (0.88) HSP90AA1KDM4ELMNAALOX15L3MBTL1
SCHEMBL12436463 0.81 KDM4E (0.64) HSP90AA1AURKAPRKACAADORA2AKDM4E
SCHEMBL3036765 0.79 KDM4E (0.82) HSP90AA1KDM4ELMNAALOX15L3MBTL1
SCHEMBL8348969 0.79 KDM4E (0.61) HSP90AA1KDM4ELMNAALOX15L3MBTL1
SCHEMBL776048 0.78 KDM4E (0.67) HSP90AA1KDM4ELMNAALOX15L3MBTL1
SCHEMBL27476056 0.78 HSP90AA1 (0.61) HSP90AA1AURKAPRKACAADORA2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110357907-B Preparation method and application of 4, 6-di (pyridine-2-yl) pyrimidine-2-amine copper complex 聊城大学 2021-07-27 CN claimed
CN-108126757-B Preparation method and application of silver modified phosphorus-tungsten-oxygen cluster catalyst 聊城大学 2020-09-01 CN claimed
CN-111329863-A Use of a composition containing a heterocyclic compound for the preparation of a medicament for the treatment of leukemia 黄泳华 2020-06-26 CN claimed
CN-110559299-A composition containing pyridyl pyrimidinamine compound and application thereof 黄泳华 2019-12-13 CN claimed
CN-110559443-A composition comprising histamine release-promoting substance and pyridylpyrimidine amine compound, and oral solid preparation containing the same 黄泳华 2019-12-13 CN claimed
CN-102432634-A 2-amino-4- (2' -pyridine) -pyrimidine diperoxovanadium ammonium salt complex and single crystal culture and application thereof UNIV HENAN SCIENCE & TECH 2012-05-02 CN claimed
WO-2005065074-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-07-21 WO claimed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 US claimed
EP-3986553-B1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2026-03-25 EP disclosed
WO-2026047630-A1 HETEROCYCLIC COMPOUNDS AS EGFR INHIBITORS HETERO LABS LIMITED (IN) 2026-03-05 WO disclosed
US-12466804-B2 Cyclobutyl carboxylic acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-11 US disclosed
US-12435057-B2 Triazole carboxylic acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-07 US disclosed
US-12209072-B2 Cyclopentyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-28 US disclosed
WO-2025015429-A1 IMIDAZOPYRIMIDINE-BASED MULTIMETALLIC CATALYSTS SCHIPPER DEREK JAMES (CA) 2025-01-23 WO disclosed
US-6620818-B1 Administering indolin-2-one derivative as cyclin-dependent kinase inhibitor SMITHKLINE BEECHAM CORPORATION 2003-09-16 US disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
EP-0150206-A4 PYRIDINYL-2-PYRIMIDINAMINES USEFUL AS CARDIOTONICS AND PREPARATION THEREOF. STERLING DRUG INC (US) 1986-03-18 EP disclosed
EP-0150206-A1 PYRIDINYL-2-PYRIMIDINAMINES USEFUL AS CARDIOTONICS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1985-08-07 EP disclosed
WO-1985000604-A1 PYRIDINYL-2-PYRIMIDINAMINES USEFUL AS CARDIOTONICS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1985-02-14 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 (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-12209072-B2 Cyclopentyl acids as LPA antagonists LPAR1, LPAR5, LPAR2 HSP90AA1 4454/4885AURKA 1623/4885PRKACA 2823/4885
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 HSP90AA1 995/4885AURKA 653/4885PRKACA 213/4885
US-12435057-B2 Triazole carboxylic acids as LPA antagonists LPAR3, LPAR1, LPAR5 HSP90AA1 4494/4885AURKA 739/4885PRKACA 3183/4885
US-12466804-B2 Cyclobutyl carboxylic acids as LPA antagonists LPAR1, LPAR3, LPAR2 HSP90AA1 4352/4885AURKA 826/4885PRKACA 3405/4885

“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.