SCHEMBL4416704

SCHEMBL4416704

Cc1ccc2cnc(Cl)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 4/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
CYP2A6 P11509 2/20 0.41
NQO2 P16083 1/20 0.41
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
EGFR P00533 1/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
NCK1 P16333 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL30908162 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2KDM4ESMN1; SMN2KMT2A
SCHEMBL28569226 0.85 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2KMT2ANPSR1
SCHEMBL858595 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2KDM4ESMN1; SMN2KMT2A
SCHEMBL30718860 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2KDM4ESMN1; SMN2KMT2A
SCHEMBL8404384 0.79 CYP1A2 (0.54) ALDH1A1CYP1A2KDM4EKMT2ANPSR1
SCHEMBL3661273 0.79 KDM4E (0.48) ALDH1A1CYP1A2KDM4ESMN1; SMN2MAPT
SCHEMBL558609 0.76 KDM4E (0.46) ALDH1A1CYP1A2KDM4ESMN1; SMN2KMT2A
SCHEMBL22449721 0.76 CYP1A2 (0.50) ALDH1A1CYP1A2KMT2ANPSR1MAPT
SCHEMBL18630333 0.76 CYP1A2 (0.50) ALDH1A1CYP1A2KDM4EKMT2ANPSR1
SCHEMBL1633846 0.76 BACE1 (0.47) ALDH1A1CYP1A2KDM4ESMN1; SMN2KMT2A

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
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US disclosed
CN-109851617-A Chemical entities, composition and method 润新生物公司 2019-06-07 CN disclosed
CN-108659005-B Quinazoline derivatives as EGFR inhibitors 南京明德新药研发股份有限公司 2019-05-07 CN disclosed
CN-108640928-B Quinazoline compounds as EGFR inhibitor 南京明德新药研发股份有限公司 2019-05-03 CN disclosed
CN-108659005-A Quinazoline derivatives as EGFR inhibitors 南京明德新药研发股份有限公司 2018-10-16 CN disclosed
CN-108640928-A Quinazoline compounds as EGFR inhibitor 南京明德新药研发股份有限公司 2018-10-12 CN disclosed
EP-3365061-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2018-08-29 EP disclosed
CN-107759571-A Inhibitors of influenza viruses replication and its application method and purposes 广东东阳光药业有限公司 2018-03-06 CN disclosed
CN-101356168-A Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMA (US) 2009-01-28 CN disclosed
CN-101068794-A Quinazolines useful as modulators of ion channels VERTEX PHARMA (US) 2007-11-07 CN disclosed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 ALDH1A1 2395/4885CYP1A2 353/4885KDM4E 3728/4885
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 ALDH1A1 2581/4885CYP1A2 1910/4885KDM4E 2920/4885
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS AHR, ARNT, RXRB ALDH1A1 879/4885CYP1A2 62/4885KDM4E 880/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB ALDH1A1 879/4885CYP1A2 62/4885KDM4E 880/4885

“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.