SCHEMBL4911546

SCHEMBL4911546

Cn1cnc(-c2nc(CN)c[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
MTOR P42345 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LRRK2 Q5S007 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
LOXL2 Q9Y4K0 4/20 0.32
MAPT P10636 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CCNC P24863 1/20 0.30

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
SCHEMBL4903497 0.84 KDM2B (0.37) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL4906538 0.72 CYP2E1 (0.36) CYP2C9CYP2C19LRRK2KDM2BPHF8
SCHEMBL246132 0.69
Hydrochloric Acid SCHEMBL17835480 0.68
SCHEMBL7494587 0.66 BRD4 (0.45) CYP2C9CYP2C19MTORLRRK2KDM2B
SCHEMBL3440322 0.64 CYP2C9 (0.47) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL6596072 0.62 KMT2A (0.40) CYP2C9CYP2C19MTORMAPT
Hydrochloric Acid SCHEMBL17091041 0.62 CYP2C9 (0.46) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL3403486 0.62
Hydrochloric Acid SCHEMBL7340468 0.61 KMT2A (0.39) CYP2C9CYP2C19MTORMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
WO-2007025940-A1 SUBSTITUTED BIARYLS AND THEIR USE AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-08 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 (1 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 CYP2C9 62/4885CYP2C19 136/4885TSHR 1354/4885

“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.