Aminopterin

Aminopterin

SCHEMBL2387187

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

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 SCHEMBL29398079 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL20769794 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL8887 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL1626034 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL8161477 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL29443569 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL9514067 0.99 DHFR (0.76) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL23581239 0.98 DHFR (0.75) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL5024596 0.98 DHFR (0.75) DHFRKDM4EMEN1ALDH1A1TYMS
Aminopterin SCHEMBL2504074 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023818-B2 Pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use GLYCON LLC (US) 2015-05-05 US disclosed
US-20140057869-A9 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use IMI INTERNATIONAL MEDICAL INNOVATIONS, INC. 2014-02-27 US disclosed
US-20110237544-A1 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CHRISTIAN SAMUEL T 2011-09-29 US disclosed
US-20060189547-A1 Novel pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use CHRISTIAN SAMUEL T 2006-08-24 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-20060189547-A1 Novel pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use CSGALNACT1, DDOST, STT3B DHFR 867/4885KDM4E 3933/4885MEN1 1674/4885
US-20110237544-A1 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CSGALNACT1, DDOST, STT3B DHFR 867/4885KDM4E 3933/4885MEN1 1674/4885
US-20140057869-A9 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CSGALNACT1, DDOST, STT3B DHFR 867/4885KDM4E 3933/4885MEN1 1674/4885

“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.