SCHEMBL10965616

SCHEMBL10965616

Nc1nc(N)c2nc(/C=C/c3ccc(C(=O)O)cc3)cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PIM1 P11309 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHFR P00374 12/20 0.44
PIK3CG P48736 1/20 0.41
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10965627 1.00 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10PIM1POLB
SCHEMBL10960826 0.84 DHFR (0.61) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL10960821 0.84 DHFR (0.61) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL25167945 0.82 PIM1 (0.48) HPGDHSD17B10PIM1DHFRPIK3CG
SCHEMBL25167944 0.82 PIM1 (0.48) HPGDHSD17B10PIM1DHFRPIK3CG
SCHEMBL9537269 0.79 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10POLBKMT2A
SCHEMBL9537276 0.79 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10POLBKMT2A
SCHEMBL10963943 0.74 DHFR (0.65) DHFR
SCHEMBL11439137 0.74 DHFR (0.65) DHFR
SCHEMBL9535793 0.73 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10PIM1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-04-21 US disclosed
EP-0006123-B1 A PTERIDINE DERIVATIVE AND A PROCESS FOR THE PREPARATION OF 10-DEAZAAMINOPTERIN AND ITS DERIVATIVES FROM THE PTERIDINE DERIVATIVE Southern Research Institute (US) 1985-01-16 EP disclosed
EP-0006123-A1 A pteridine derivative and a process for the preparation of 10-deazaaminopterin and its derivatives from the pteridine derivative Southern Research Institute (US) 1980-01-09 EP disclosed
US-4172200-A MULTISTEP FROM 6-BROMOMETHYL-2,4-PTERIDINEDIAMINE HYDROBROMIDE SOUTHERN RESEARCH INSTITUTE (US) 1979-10-23 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 (2 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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 ALDH1A1 1219/4885HPGD 1595/4885HSD17B10 1209/4885
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 ALDH1A1 1219/4885HPGD 1595/4885HSD17B10 1209/4885

“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.