SCHEMBL806605

SCHEMBL806605

CNCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 3/20 0.63
▸ QPCT Q16769 6/20 0.63
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PRKCI P41743 1/20 0.51
▸ SOD1 P00441 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL10771358 0.94 TBXAS1 (0.67) TBXAS1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL46694 0.88 — —
Hydrochloric Acid SCHEMBL14119641 0.86 QPCT (0.56) TBXAS1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL5878941 0.84 TBXAS1 (0.63) TBXAS1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL19786259 0.83 TBXAS1 (0.68) TBXAS1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL20966334 0.82 TBXAS1 (0.65) TBXAS1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL12803431 0.81 TBXAS1 (0.60) TBXAS1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL8365568 0.81 TBXAS1 (0.59) TBXAS1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL9777196 0.80 TBXAS1 (0.85) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL937596 0.80 TBXAS1 (0.95) TBXAS1PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476803-B Amine compositions useful for making polyurethane foams 赢创运营有限公司 2022-04-12 — — CN claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 — — EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 — — US claimed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 — — US claimed
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 — — EP claimed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 — — US claimed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 — — WO claimed
US-20250161307-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2025-05-22 — — US disclosed
EP-4469454-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE Janssen Pharmaceutica NV (BE) 2024-12-04 — — EP disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 — — US disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 — — US disclosed
WO-2023183887-A2 COMPOSITIONS FOR AND METHODS OF MODULATING RNA STABILITY DUKE UNIVERSITY (US) 2023-09-28 — — WO disclosed
CN-114478318-B Dinitrile isophorone derivative, preparation method and application thereof 河南应用技术职业学院 2023-08-18 — — CN disclosed
WO-2002014354-A1 WATER SOLUBLE THIAZOLYL PEPTIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-21 — — WO disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 — — WO disclosed
US-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 — — US disclosed
EP-0230035-A2 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID COMPANY (US) 1987-07-29 — — EP disclosed
US-4450277-A Preparation of 1-substituted imidazoles BASF AKTIENGESELLSCHAFT (DE) 1984-05-22 — — US disclosed
EP-0026908-B1 PROCESS FOR PREPARING 1-SUBSTITUTED IMIDAZOLES BASF Aktiengesellschaft (DE) 1983-06-22 — — EP disclosed
EP-0026908-A1 Process for preparing 1-substituted imidazoles BASF Aktiengesellschaft (DE) 1981-04-15 — — EP 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 (5 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-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 TBXAS1 3253/4885QPCT 3645/4885CYP1A2 3776/4885
US-20250161307-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE SMOX, SRM, SMS TBXAS1 274/4885QPCT 2388/4885CYP1A2 423/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 TBXAS1 1776/4885QPCT 1290/4885CYP1A2 3417/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 TBXAS1 183/4885QPCT 4052/4885CYP1A2 413/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 TBXAS1 1776/4885QPCT 1290/4885CYP1A2 3417/4885

“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.

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