SCHEMBL221621

SCHEMBL221621

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 11/20 0.71
KDM4E B2RXH2 1/20 0.67
TLR4 O00206 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
TYMS P04818 1/20 0.67
GLA P06280 1/20 0.67
POLB P06746 1/20 0.67
HMGB1 P09429 1/20 0.67
MAPT P10636 1/20 0.67
FOLR2 P14207 1/20 0.67
FOLR1 P15328 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
ALOX12 P18054 1/20 0.67
GART P22102 1/20 0.67
APEX1 P27695 1/20 0.67
CASP1 P29466 1/20 0.67

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
SCHEMBL29658170 1.00 DHFR (0.71) DHFRKDM4ETLR4MEN1ALDH1A1
Hydrochloric Acid SCHEMBL1230259 0.99 DHFR (0.70) DHFRKDM4ETLR4MEN1ALDH1A1
Hydrochloric Acid SCHEMBL3171572 0.98 DHFR (0.69) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL30110296 0.92 DHFR (0.62) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL11913611 0.91 DHFR (0.71) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL13985918 0.91 DHFR (0.71) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL13529957 0.91 DHFR (0.60) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL10379252 0.90 DHFR (0.59) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL14753789 0.89 DHFR (0.66) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL22201137 0.88 HDAC4 (0.70) DHFRKDM4ETLR4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 US claimed
EP-1700244-A4 A METHOD FOR DESIGNING SURFACES BIO LAYER PTY LTD (AU) 2009-07-08 EP claimed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 US claimed
EP-1700244-A1 A METHOD FOR DESIGNING SURFACES Bio-Layer Pty Limited (AU) 2006-09-13 EP claimed
WO-2005057462-A1 A METHOD FOR DESIGNING SURFACES BIO-LAYER PTY LIMITED (AU) 2005-06-23 WO claimed
US-20250114466-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2025-04-10 US disclosed
EP-2349274-B1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES ENDOCYTE INC (US) 2025-04-09 EP disclosed
US-20250093340-A1 ANTIBODIES TO METHOTREXATE AND USES THEREOF ARES CAPITAL CORPORATION, AS ADMINISTRATIVE AGENT 2025-03-20 US disclosed
US-12163955-B2 Antibodies to methotrexate and uses thereof ARK DIAGNOSTICS, INC. (US) 2024-12-10 US disclosed
EP-4457229-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES Byondis B.V. (NL) 2024-11-06 EP disclosed
US-20240319176-A1 ANTIBODIES TO METHOTREXATE AND USES THEREOF ARES CAPITAL CORPORATION, AS ADMINISTRATIVE AGENT 2024-09-26 US 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
WO-2004031219-A1 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-04-15 WO disclosed
WO-2004031220-A1 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-04-15 WO disclosed
WO-2003106491-A2 CELL PENETRATING PEPTIDES CEPEP AB (SE) 2003-12-24 WO disclosed
EP-1135390-A1 METHOTREXATE DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-09-26 EP disclosed
US-6291673-B1 Folic acid derivatives PURDUE RESEARCH FOUNDATION 2001-09-18 US disclosed
WO-2000034281-A1 METHOTREXATE DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-06-15 WO 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-20240319176-A1 ANTIBODIES TO METHOTREXATE AND USES THEREOF MTX1, DHFR, MTX2 DHFR 2/4885KDM4E 3678/4885TLR4 1984/4885
US-20230406859-A1 METHOTREXATE ANALOGS AND METHODS OF USE MTX1, MTX2, MGMT DHFR 9/4885KDM4E 3515/4885TLR4 2626/4885
US-20250114466-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 DHFR 1/4885KDM4E 2050/4885TLR4 2346/4885
US-20250093340-A1 ANTIBODIES TO METHOTREXATE AND USES THEREOF MTX1, DHFR, MTX2 DHFR 2/4885KDM4E 3678/4885TLR4 1984/4885
US-12163955-B2 Antibodies to methotrexate and uses thereof MTX1, DHFR, MTX2 DHFR 2/4885KDM4E 3678/4885TLR4 1984/4885

“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.