SCHEMBL63822

SCHEMBL63822

Cc1cnc2nc(N)nc(N)c2n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
PIK3CG P48736 3/20 0.50
NOS1 P29475 1/20 0.47
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL30965441 1.00 ADORA2A (0.53) ADORA2APIK3CGNOS1PIK3CAPIK3CB
Bromide SCHEMBL11633687 0.98 ADORA2A (0.52) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL12843982 0.84 ADORA1 (0.40) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL6239850 0.81 PIK3CG (0.41) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL3692533 0.79 ADORA2A (0.57) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL5514814 0.78 NOS1 (0.62) ADORA2ANOS1
SCHEMBL3537607 0.78 ADORA2A (0.55) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL3660280 0.76 ADORA2A (0.53) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL8813993 0.76 NOS1 (0.61) NOS1
SCHEMBL12430387 0.76 ADORA2A (0.48) ADORA2APIK3CGNOS1PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4224446-A Process for the production of methotrexate LONZA LTD. (CH) 1980-09-23 US claimed
CN-118330110-A Method for determining 2, 4-diamino-7-chloromethyl pteridine 重庆药友制药有限责任公司 2024-07-12 CN disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
WO-2022272307-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS LYCIA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
WO-2022150721-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS LYCIA THERAPEUTICS, INC. (US) 2022-07-14 WO disclosed
EP-2797417-B1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIV DUESSELDORF (DE) 2019-07-31 EP disclosed
US-9867828-B2 Aminopterin dosage forms AMINOPTERIN LLC (US) 2018-01-16 US disclosed
EP-1855682-B1 AMINOPTERIN DOSAGE FORMS FOR INFLAMMATORY DISORDERS AMINOPTERIN LLC (US) 2017-11-01 EP disclosed
EP-2707487-B1 RIBOSWITCHES UNIV MANCHESTER (GB) 2017-10-04 EP disclosed
US-20050209239-A1 Compositions and methods employing aminopterin AMINOPTERIN LLC 2005-09-22 US disclosed
CN-1439641-A Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science CHINESE PHARMACEUTICAL UNIV (CN) 2003-09-03 CN disclosed
US-4306064-A Synthesis of 2,4-diamino-6-hydroxymethylpteridine MONSANTO RESEARCH CORPORATION 1981-12-15 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
US-3989703-A Process of preparing N[p-{[(2,4-diamino-6-pteridyl)-methyl]N10 -methylamino}-benzoyl]-glutamic acid INSTITUTUL ONCOLOGIC (RU) 1976-11-02 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 (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-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION QDPR, DHFR, DDC ADORA2A 1687/4885PIK3CG 3307/4885NOS1 1167/4885
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A ADORA2A 637/4885PIK3CG 1942/4885NOS1 4318/4885
US-20050209239-A1 Compositions and methods employing aminopterin SLC7A1, AADAT, SLC19A1 ADORA2A 964/4885PIK3CG 4270/4885NOS1 633/4885

“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.