SCHEMBL23928502

SCHEMBL23928502

O=Cc1cn(-c2ccccc2)nc1-c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 1.00
ALDH1A1 P00352 7/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
PTGS2 P35354 3/20 0.82
POLB P06746 2/20 0.72
MEN1 O00255 6/20 0.67
NLRP3 Q96P20 1/20 0.67
KDM4E B2RXH2 3/20 0.61
HSD17B10 Q99714 2/20 0.61
HPGD P15428 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
RAB9A P51151 2/20 0.56
THRB P10828 1/20 0.56
PKM P14618 1/20 0.56
RECQL P46063 1/20 0.56
PLK1 P53350 1/20 0.51

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
SCHEMBL3447906 0.91 PTGS2 (1.00) KMT2AALDH1A1SMN1; SMN2PTGS2POLB
SCHEMBL28358360 0.88 PTGS2 (0.94) KMT2AALDH1A1SMN1; SMN2PTGS2POLB
SCHEMBL3506277 0.85 KMT2A (0.74) KMT2AALDH1A1SMN1; SMN2PTGS2POLB
SCHEMBL16055968 0.84 PTGS2 (0.76) KMT2AALDH1A1SMN1; SMN2PTGS2POLB
SCHEMBL11244212 0.84 PTGS2 (0.76) KMT2AALDH1A1SMN1; SMN2PTGS2POLB
SCHEMBL23928527 0.84 PTGS2 (0.80) KMT2AALDH1A1SMN1; SMN2PTGS2POLB
SCHEMBL11254624 0.84 PTGS2 (0.80) KMT2AALDH1A1SMN1; SMN2PTGS2POLB
SCHEMBL23392558 0.84 PTGS2 (0.86) KMT2AALDH1A1SMN1; SMN2PTGS2POLB
SCHEMBL11250330 0.84 POLB (1.00) KMT2AALDH1A1SMN1; SMN2PTGS2POLB
SCHEMBL10579042 0.84 PTGS2 (0.80) KMT2AALDH1A1SMN1; SMN2PTGS2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008754-A1 N-SUBSTITUTED DERIVATIVES OF L-(L-PHENYL-3-ARYL)-LFF-PYRAZOL-4-YL)METHANAININE, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATIONS UNIV MEDYCZNY W LUBLINIE (PL) 2026-01-08 US disclosed
US-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 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-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 KMT2A 1384/4885ALDH1A1 1/4885SMN1; SMN2 2873/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 KMT2A 1384/4885ALDH1A1 1/4885SMN1; SMN2 2873/4885
US-20260008754-A1 N-SUBSTITUTED DERIVATIVES OF L-(L-PHENYL-3-ARYL)-LFF-PYRAZOL-4-YL)METHANAININE, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATIONS HTR1F, ADH5, HRH4 KMT2A 1542/4885ALDH1A1 1035/4885SMN1; SMN2 2432/4885

“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.