SCHEMBL64146

SCHEMBL64146

Nc1nc(N)c2nc(CBr)cnc2n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.54
DHFR P00374 1/20 0.51

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
SCHEMBL30435493 1.00 NOS1 (0.54) NOS1DHFR
SCHEMBL31143797 1.00 NOS1 (0.54) NOS1DHFR
Hydrochloric Acid SCHEMBL479239 0.98 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL2553255 0.98 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL1116048 0.98 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL30761717 0.98 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL29515501 0.98 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL29695506 0.98 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL28577318 0.97 NOS1 (0.51) NOS1DHFR
Isopropyl Alcohol SCHEMBL8445236 0.89 NOS1 (0.49) NOS1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258702-A2 Purified compositions of 10-Propargyl-10-Deazaaminopterin and method of using same in the treatment of tumors Sloan-Kettering Institute For Cancer Research (US) 2010-12-08 EP claimed
US-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCK PHARMA S.R.L. (IT) 2010-12-02 US claimed
EP-2234998-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION Tydock Pharma S.r.l. (IT) 2010-10-06 EP claimed
WO-2009080367-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCKPHARMA S.R.L. (IT) 2009-07-02 WO claimed
EP-1891957-A1 Purified Compositions of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same in the Treament of Tumors Sloan-Kettering Institute for Cancer Research (US) 2008-02-27 EP claimed
EP-0527185-B1 AMETHOPTERIN(METHOTREXATE) PRO-DRUGS, INTERMEDIATE PRODUCTS, A PREPARATION METHOD, AND COMPOSITIONS CONTAINING THEM BRITISH TECH GROUP (GB) 1995-04-12 EP claimed
EP-0006123-B1 A PTERIDINE DERIVATIVE AND A PROCESS FOR THE PREPARATION OF 10-DEAZAAMINOPTERIN AND ITS DERIVATIVES FROM THE PTERIDINE DERIVATIVE Southern Research Institute (US) 1985-01-16 EP claimed
US-4421913-A SOLVENT EXTRACTION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1983-12-20 US claimed
US-4224446-A Process for the production of methotrexate LONZA LTD. (CH) 1980-09-23 US claimed
US-4079056-A REACTING 2,4-DIAMINO-6-PTERIDINE-METHANOL-HBR WITH TRIPHENYLPHOSPHINE DIBROMIDE OR PHOSPHORUS TRIBROMIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-14 US claimed
US-12421187-B2 Dihydrofolate synthase (DHFS) inhibiting agents and methods of making and using same WASHINGTON UNIVERISTY (US) 2025-09-23 US disclosed
US-20250114466-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2025-04-10 US disclosed
EP-4457229-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES Byondis B.V. (NL) 2024-11-06 EP disclosed
US-20230406859-A1 METHOTREXATE ANALOGS AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-12-21 US disclosed
US-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY (US) 2023-10-12 US disclosed
US-4421913-A SOLVENT EXTRACTION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1983-12-20 US disclosed
US-4224446-A Process for the production of methotrexate LONZA LTD. (CH) 1980-09-23 US disclosed
US-4224446-A Process for the production of methotrexate LONZA LTD. (CH) 1980-09-23 US disclosed
US-4079056-A REACTING 2,4-DIAMINO-6-PTERIDINE-METHANOL-HBR WITH TRIPHENYLPHOSPHINE DIBROMIDE OR PHOSPHORUS TRIBROMIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-14 US disclosed
US-4077957-A INTERMEDIATE FOR METHOTREXATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-07 US 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-20230406859-A1 METHOTREXATE ANALOGS AND METHODS OF USE MTX1, MTX2, MGMT NOS1 268/4885DHFR 9/4885
US-20250114466-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 NOS1 4167/4885DHFR 1/4885
US-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME DHFR, DHPS, MTHFD1 NOS1 2595/4885DHFR 1/4885
US-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION QDPR, DHFR, DDC NOS1 1167/4885DHFR 2/4885
US-12421187-B2 Dihydrofolate synthase (DHFS) inhibiting agents and methods of making and using same DHFR, DHPS, MTHFD1 NOS1 2595/4885DHFR 1/4885

“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.