SCHEMBL676635

SCHEMBL676635

Nc1nc(=O)c2c([nH]1)NCC=N2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL4237669 0.72 CYP3A4 (0.32) CYP3A4BLM
SCHEMBL676634 0.72 KDM4E (0.43) CYP3A4BLM
SCHEMBL11100644 0.69
SCHEMBL7077081 0.68 KDM4E (0.33) CYP3A4BLM
SCHEMBL7362056 0.68 KDM4E (0.33) CYP3A4BLM
SCHEMBL24149523 0.67 CYP1A2 (0.33) CYP3A4BLM
SCHEMBL4237665 0.66 NOS1 (0.38)
SCHEMBL851106 0.65 KDM4E (0.32) CYP3A4BLM
SCHEMBL3454166 0.63 PNP (0.32) CYP3A4BLM
SCHEMBL9152040 0.63 DHFR (0.40) CYP3A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138142-A1 COMPOSITIONS AND USE OF SULFASALAZINE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-11-10 WO claimed
EP-1696877-A2 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2006-09-06 EP claimed
US-20050197341-A1 Methods for treating pain GENERAL HOSPITAL CORPORATION, THE 2005-09-08 US claimed
WO-2005048926-A2 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2005-06-02 WO claimed
US-12421187-B2 Dihydrofolate synthase (DHFS) inhibiting agents and methods of making and using same WASHINGTON UNIVERISTY (US) 2025-09-23 US disclosed
WO-2024022365-A1 WNT PATHWAY INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2024-02-01 WO disclosed
US-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY (US) 2023-10-12 US disclosed
WO-2022214053-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR 海南耀臻生物医药科技有限公司 2022-10-13 WO disclosed
EP-4029519-A1 TETRAHYDROBIOPTERIN FOR TREATING CONDITIONS ASSOCIATED WITH ELEVATED PHENYLALANINE LEVELS BioMarin Pharmaceutical Inc. (US) 2022-07-20 EP disclosed
EP-3461503-B9 METHODS OF ADMINISTERING TETRAHYDROBIOPTERIN, ASSOCIATED COMPOSITIONS, AND METHODS OF MEASURING BIOMARIN PHARM INC (US) 2022-05-11 EP disclosed
EP-3461503-B1 METHODS OF ADMINISTERING TETRAHYDROBIOPTERIN, ASSOCIATED COMPOSITIONS, AND METHODS OF MEASURING BIOMARIN PHARM INC (US) 2022-02-09 EP disclosed
EP-2545939-B1 Tetrahydrobiopterin for treating conditions associated with elevated phenylalanine levels BIOMARIN PHARM INC (US) 2020-12-16 EP disclosed
EP-0138995-B1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES South Alabama Medical Science Foundation (US) 1991-08-14 EP disclosed
EP-0138995-A4 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1988-05-10 EP disclosed
US-4701455-A NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE BURROUGHS WELLCOME CO. (US) 1987-10-20 US disclosed
US-4587340-A ANTIDEPRESSANTS BURROUGHS WELLCOME CO. (US) 1986-05-06 US disclosed
EP-0138995-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1985-05-02 EP disclosed
WO-1984004040-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES UNIV SOUTH ALABAMA (US) 1984-10-25 WO disclosed
EP-0012444-B1 DIAGNOSTIC METHOD, ESPECIALLY FOR THE EARLY RECOGNITION OF MALIGNANT TUMORS AND/OR VIRAL DISEASES, AND MEANS TO CARRY IT OUT Wachter, Helmut, Univ.-Prof. Dr. (AT) 1984-07-25 EP disclosed
EP-0012444-A1 Diagnostic method, especially for the early recognition of malignant tumors and/or viral diseases, and means to carry it out Wachter, Helmut, Univ.-Prof. Dr. (AT) 1980-06-25 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 (3 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-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME DHFR, DHPS, MTHFD1 CYP3A4 2111/4885BLM 1822/4885
US-20050197341-A1 Methods for treating pain SPR, QDPR, SHMT1 CYP3A4 220/4885BLM 4585/4885
US-12421187-B2 Dihydrofolate synthase (DHFS) inhibiting agents and methods of making and using same DHFR, DHPS, MTHFD1 CYP3A4 2111/4885BLM 1822/4885

“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.