Aminopterin

Aminopterin

SCHEMBL1626034

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.76
KDM4E B2RXH2 2/20 0.74
MEN1 O00255 2/20 0.74
ALDH1A1 P00352 2/20 0.74
TYMS P04818 2/20 0.74
POLB P06746 2/20 0.74
HPGD P15428 2/20 0.74
KMT2A Q03164 2/20 0.74
HSD17B10 Q99714 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
GAA P10253 1/20 0.74
AKR1B1 P15121 1/20 0.74
TSHR P16473 1/20 0.74
PTGS2 P35354 1/20 0.74
TLR4 O00206 1/20 0.71
LMNA P02545 1/20 0.71
TP53 P04637 1/20 0.71
GLA P06280 1/20 0.71
HMGB1 P09429 1/20 0.71
MAPT P10636 1/20 0.71

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
Aminopterin SCHEMBL9514067 1.00 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL20769794 1.00 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL29443569 1.00 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL8887 1.00 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL8161477 1.00 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL29398079 1.00 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL23581239 0.99 DHFR (0.75) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL5024596 0.99 DHFR (0.75) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL2504074 0.99 DHFR (0.75) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL2387187 0.99 DHFR (0.75) DHFRKDM4EMEN1ALDH1A1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109675048-A A kind of anticancer prodrug liposome and artemisine liposome Nano medication 中国科学院化学研究所 2019-04-26 CN claimed
EP-2002846-B1 Combination therapy using an IL-1 inhibitor for treating IL-1 mediated diseases AMGEN INC (US) 2017-01-25 EP claimed
US-20090203609-A1 Use of IL-1 inhibitors for treating IL-1 mediated diseases AMGEN INC. 2009-08-13 US claimed
US-20040044001-A1 Use of II-1 inhibitors for treating II-1 mediated diseases AMGEN INC. 2004-03-04 US claimed
US-20030072756-A1 Combination therapy using an IL-1 inhibitor and methotrexate AMGEN INC. 2003-04-17 US claimed
JP-2002509529-A 2002-03-26 JP claimed
EP-0949931-A1 COMBINATION THERAPY USING AN IL-1 INHIBITOR FOR TREATING IL-1 MEDIATED DISEASES AMGEN INC. (US) 1999-10-20 EP claimed
WO-1998024477-A1 COMBINATION THERAPY USING AN IL-1 INHIBITOR FOR TREATING IL-1 MEDIATED DISEASES AMGEN INC. (US) 1998-06-11 WO claimed
US-20230201203-A1 METHODS OF TREATMENT USING ANTIFOLATES AND PHARMACEUTICAL FORMULATIONS COMPRISING ANTIFOLATES EMPHASCIENCE, INC. 2023-06-29 US disclosed
US-20230129487-A1 SMALL MOLECULE BCL-2 FUNCTIONAL CONVERTERS AS CANCER THERAPEUTICS OREGON STATE UNIVERSITY (US) 2023-04-27 US disclosed
US-20230129487-A1 SMALL MOLECULE BCL-2 FUNCTIONAL CONVERTERS AS CANCER THERAPEUTICS OREGON STATE UNIVERSITY (US) 2023-04-27 US disclosed
CN-115942978-A Antibody-drug conjugates comprising anti-B7-H3 antibodies 尹图赛利有限公司 2023-04-07 CN disclosed
CN-109562170-B anti-CD 98 antibodies and antibody drug conjugates 艾伯维公司(US) 2023-01-13 CN disclosed
US-11419843-B2 Small molecule BCL-2 functional converters as cancer therapeutics OREGON STATE UNIVERSITY (US) 2022-08-23 US disclosed
WO-1998024463-A2 COMBINATION THERAPY USING A TNF BINDING PROTEIN FOR TREATING TNF-MEDIATED DISEASES AMGEN INC. (US) 1998-06-11 WO disclosed
US-4767859-A Process for the preparation of pteridine derivatives RHONE-POULENC SANTE (FR) 1988-08-30 US disclosed
US-4268516-A [1]Benzothiopyrano[4,3-c]pyrazoles as immunoregulatory agents PFIZER INC. (US) 1981-05-19 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-3981983-A Rapid, radiochemical-ligand binding assay for methotrexate CASE WESTERN RESERVE UNIVERSITY (US) 1976-09-21 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 (6 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-11419843-B2 Small molecule BCL-2 functional converters as cancer therapeutics BCL2, BCL2L1, BCL2L13 DHFR 232/4885KDM4E 3276/4885MEN1 2362/4885
US-20040044001-A1 Use of II-1 inhibitors for treating II-1 mediated diseases IL1A, IL1B, IL1R1 DHFR 28/4885KDM4E 2479/4885MEN1 791/4885
US-20090203609-A1 Use of IL-1 inhibitors for treating IL-1 mediated diseases IL1A, IL1B, IL1R1 DHFR 26/4885KDM4E 1774/4885MEN1 728/4885
US-20230129487-A1 SMALL MOLECULE BCL-2 FUNCTIONAL CONVERTERS AS CANCER THERAPEUTICS BCL2, BCL2L1, BCL2L13 DHFR 232/4885KDM4E 3276/4885MEN1 2362/4885
US-20030072756-A1 Combination therapy using an IL-1 inhibitor and methotrexate IL1A, IL1B, IL1RN DHFR 20/4885KDM4E 1432/4885MEN1 993/4885
US-20230201203-A1 METHODS OF TREATMENT USING ANTIFOLATES AND PHARMACEUTICAL FORMULATIONS COMPRISING ANTIFOLATES DHFR, MTHFD1, OAT DHFR 1/4885KDM4E 4073/4885MEN1 3312/4885

“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.