SCHEMBL21409025

SCHEMBL21409025

ON=Cc1cc2ccncc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
CYP3A4 P08684 2/20 0.44
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40
KDM4E B2RXH2 1/20 0.36
NAMPT P43490 7/20 0.33
HPGD P15428 2/20 0.33
CYP2C9 P11712 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM4 Q14833 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
PRMT1 Q99873 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21409023 1.00 CYP2A6 (0.44) CYP2A6CYP3A4CCNT1CDK9HASPIN
SCHEMBL255443 0.77 CYP2A6 (0.56) CYP2A6CYP3A4CCNT1CDK9HASPIN
SCHEMBL16693057 0.75 CYP2A6 (0.58) CYP2A6KDM4EHPGDGFERSMN1; SMN2
SCHEMBL533466 0.75 CYP2A6 (0.58) CYP2A6KDM4EHPGDGFERSMN1; SMN2
SCHEMBL16684695 0.71 APP (0.48) CYP2A6KDM4EHPGDGFERSMN1; SMN2
SCHEMBL16684694 0.71 APP (0.48) CYP2A6KDM4EHPGDGFERSMN1; SMN2
SCHEMBL16693152 0.68 APP (0.48) CYP2A6KDM4EHPGDGFERSMN1; SMN2
SCHEMBL16684587 0.68 APP (0.48) CYP2A6KDM4EHPGDGFERSMN1; SMN2
SCHEMBL6488493 0.68 KMT2A (0.46) KDM4EHPGDMAPTPRMT1MEN1
SCHEMBL6488496 0.68 KMT2A (0.46) KDM4EHPGDMAPTPRMT1MEN1

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-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
EP-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 EP disclosed
WO-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 WO 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-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 CYP2A6 624/4885CYP3A4 248/4885CCNT1 2281/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 CYP2A6 624/4885CYP3A4 248/4885CCNT1 2281/4885

“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.