SCHEMBL21148331

SCHEMBL21148331

C=Nc1ccccc1/N=C\CC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL13376542 0.77 CYP2C9 (0.57) CYP2C9CYP3A4CYP2D6
SCHEMBL13816219 0.76 ALDH1A1 (0.38) CYP2C9CYP3A4CYP2D6CA12CA2
SCHEMBL14473226 0.76 CA12 (0.39) CYP2C9CA12CA2CA9
SCHEMBL23829636 0.75 MAPT (0.48) CYP2C9CYP3A4CYP2D6CA12CA2
SCHEMBL23829633 0.75 MAPT (0.48) CYP2C9CYP3A4CYP2D6CA12CA2
SCHEMBL21010629 0.75 CYP2C9 (0.45) CYP2C9CYP3A4CYP2D6
SCHEMBL24289374 0.75 NPC1 (0.48) CYP2C9CYP3A4CYP2D6
SCHEMBL14273549 0.74 NPC1 (0.38)
SCHEMBL12000938 0.72 CYP2C9 (0.39) CYP2C9CYP3A4CYP2D6CA12CA2
SCHEMBL10763347 0.72 CASP3 (0.44) CYP2C9CYP3A4CYP2D6

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-10683256-B2 Process for preparing substituted biphenyls BASF SE (DE) 2020-06-16 US disclosed
US-20190210954-A1 Process for Preparing Substituted Biphenyls LIANHE CHEMICAL TECHNOLOGY CO., LTD (CN) 2019-07-11 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-10683256-B2 Process for preparing substituted biphenyls PIK3CA, PIK3CB, PIK3CG CYP2C9 366/4885CYP3A4 72/4885CYP2D6 335/4885
US-20190210954-A1 Process for Preparing Substituted Biphenyls PIK3CA, PIK3CB, PIK3CG CYP2C9 366/4885CYP3A4 72/4885CYP2D6 335/4885

“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.