Aminopterin

Aminopterin

SCHEMBL2504074

Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1.[NaH]

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 9/20 0.75
▸ KDM4E B2RXH2 2/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ ALDH1A1 P00352 2/20 0.73
▸ TYMS P04818 2/20 0.73
▸ POLB P06746 2/20 0.73
▸ HPGD P15428 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ HSD17B10 Q99714 2/20 0.73
▸ TDP1 Q9NUW8 2/20 0.73
▸ GAA P10253 1/20 0.73
▸ AKR1B1 P15121 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ PTGS2 P35354 1/20 0.73
▸ TLR4 O00206 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ TP53 P04637 1/20 0.70
▸ GLA P06280 1/20 0.70
▸ HMGB1 P09429 1/20 0.70
▸ MAPT P10636 1/20 0.70

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 SCHEMBL5024596 1.00 DHFR (0.75) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL29443569 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL29398079 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL20769794 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL8161477 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL9514067 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL8887 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL1626034 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL23581239 0.98 DHFR (0.75) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL2387187 0.98 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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431854-A Method for synthesizing acrolein diethyl acetal being aminopterin sodium drug intermediate 厦门市凯尔利信息科技有限公司 2017-02-22 — — CN claimed
CN-106431984-A Method for synthesizing aminopterin drug intermediate cyanoacetamide 厦门莱恩斯特信息科技有限公司 2017-02-22 — — CN claimed
CN-105541661-A Aminopterin sodium drug intermediate cyanoacetamide synthesis method CHENGDU DONGDIAN AIER SCIENCE AND TECH CO LTD 2016-05-04 — — CN claimed
CN-105503547-A Method for synthesizing aminopterin sodium drug intermediate acrolein diethyl acetal CHENGDU QIANYE LONGHUA PETROLEUM ENG TECH CONSULTING CO LTD 2016-04-20 — — CN claimed
CN-104127469-A New application of olive leaf crude extract and tumor therapeutic drug combined kit thereof SHANGHAI YUXIAN MEDICAL TECHNOLOGY CO LTD 2014-11-05 — — CN claimed
CN-1923173-A Anti-cancer drugs slow release agent comprising anticancer antibiotics and booster thereof JINAN KANGQUAN PHARMACEUTICAL (CN) 2007-03-07 — — CN claimed
CN-1857723-A Slow released anticancer medicine preparation with both amrubicin and its synergist KANGQUAN MEDICINE SCI TECH CO (CN) 2006-11-08 — — CN claimed
CN-1634584-A Anti-cancer medicine composition containing antimetabolite SHANDONG LANJIN BIOENGINEERING (CN) 2005-07-06 — — CN claimed
US-4925662-A ANTITUMOR AGENT BONDED TO HUMAN IMMUNOGLOBULIN KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-05-15 — — US claimed
EP-0122132-A2 Anti-tumour substance KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-10-17 — — EP claimed
US-4401592-A REACTION PRODUCT OF AN ANTIBODY WITH AN ANTIBIOTIC, ANTIMETABOLIC SUBSTANCE OR ALKYLATING AGENT KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-08-30 — — US claimed
CN-112601751-B Fused thiophene compounds 拜欧斯瑞克斯公司 2024-04-02 — — CN disclosed
EP-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 — — EP disclosed
CN-110302004-A Device and method for ocular injection 科尼尔赛德生物医学公司 2019-10-08 — — CN disclosed
US-20190216815-A1 COMBINATION THERAPY COMPRISING A POLYUNSATURATED KETONE AND A FOLIC ACID PARTNER AVEXXIN AS (NO) 2019-07-18 — — US disclosed
US-4622218-A Testicular-specific drug delivery UNIVERSITY OF FLORIDA (US) 1986-11-11 — — US disclosed
US-4584136-A Process for preparing Estracyt compounds having a carcinostatic bound thereto JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1986-04-22 — — US disclosed
EP-0122132-A2 Anti-tumour substance KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-10-17 — — EP disclosed
US-4401592-A REACTION PRODUCT OF AN ANTIBODY WITH AN ANTIBIOTIC, ANTIMETABOLIC SUBSTANCE OR ALKYLATING AGENT KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-08-30 — — US disclosed
US-4315851-A AFFINITY-CHROMATOGRAPHY PURIFIED IMMUNOGLOBULIN, ANTIBODIES,ANTIGENS OR ANTIBIOTICS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-02-16 — — 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 (1 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-20190216815-A1 COMBINATION THERAPY COMPRISING A POLYUNSATURATED KETONE AND A FOLIC ACID PARTNER FOLR2, MTHFD2, FOLR1 DHFR 4/4885KDM4E 2739/4885MEN1 1517/4885

“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.

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