SCHEMBL3787936

SCHEMBL3787936

CCNc1cc(N)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
TP53 P04637 3/20 0.48
EGFR P00533 1/20 0.35
ALDH1A1 P00352 6/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 4/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL3793129 0.84 EGFR (0.40) TP53EGFRALDH1A1HPGDCYP1A2
SCHEMBL3398764 0.84 ALDH1A1 (0.42) TP53EGFRALDH1A1HPGDCYP1A2
SCHEMBL13773367 0.84 ADRA2A (0.38) CYP3A4ALDH1A1HPGDL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL3396163 0.82 ALDH1A1 (0.41) TP53EGFRALDH1A1HPGDCYP1A2
SCHEMBL27905216 0.78 CYP3A4 (0.46) CYP3A4TP53ALDH1A1HPGDCYP1A2
SCHEMBL12852152 0.77 RAPGEF4 (0.44) CYP3A4EGFRALDH1A1HPGDCYP1A2
SCHEMBL3786833 0.76 CYP3A4 (0.55) CYP3A4TP53EGFRALDH1A1HTR6
SCHEMBL20620250 0.75 RAPGEF4 (0.49) EGFRALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL34470033 0.75 TP53 (0.43) CYP3A4TP53ALDH1A1HPGDCYP1A2
SCHEMBL34469442 0.75 TP53 (0.43) CYP3A4TP53ALDH1A1HPGDCYP1A2

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-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-23 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF CD74, CD2BP2, SERPINB1 CYP3A4 4257/4885TP53 995/4885EGFR 3898/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TP53 2819/4885EGFR 600/4885

“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.