SCHEMBL16980950

SCHEMBL16980950

CC(C)(C)Cc1cnc2nc(N)nc(N)c2n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.53
DHFR P00374 1/20 0.48

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
SCHEMBL16980934 0.84 NOS1 (0.39) NOS1DHFR
SCHEMBL8813993 0.81 NOS1 (0.61) NOS1DHFR
SCHEMBL13019221 0.81 DHFR (0.56) NOS1DHFR
SCHEMBL14435374 0.80 NOS1 (0.55) NOS1DHFR
SCHEMBL30432658 0.80 NOS1 (0.55) NOS1DHFR
SCHEMBL20780857 0.79 NOS1 (0.67) NOS1DHFR
SCHEMBL26500537 0.79 NOS1 (0.62) NOS1DHFR
SCHEMBL10615664 0.79 NOS1 (0.62) NOS1DHFR
SCHEMBL64146 0.78 NOS1 (0.54) NOS1DHFR
SCHEMBL5013975 0.78 NOS1 (0.61) NOS1DHFR

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-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
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES HEINRICH HEINE UNIVERSITAT DUSSELDORF (DE) 2015-08-06 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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 NOS1 4167/4885DHFR 1/4885
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES CBR3, GRHPR, PCK1 NOS1 4480/4885DHFR 703/4885
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 NOS1 4167/4885DHFR 1/4885

“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.