SCHEMBL3787997

SCHEMBL3787997

CNc1ccc(-c2ccc(N)cc2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.47
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TAAR1 Q96RJ0 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KIF11 P52732 3/20 0.39
TSHR P16473 1/20 0.37
AAK1 Q2M2I8 3/20 0.36
NPC1 O15118 1/20 0.36
ABCB1 P08183 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL10412397 0.91 PRKCI (0.53) PRKCITDP1CYP3A4ALDH1A1MEN1
SCHEMBL3804750 0.86 MAPT (0.52) PRKCITDP1CYP3A4ALDH1A1MEN1
SCHEMBL30291080 0.85 TDP1 (0.61) PRKCITDP1CYP3A4ALDH1A1TP53
SCHEMBL20495124 0.84 PRKCI (0.44) PRKCITDP1MEN1KMT2AKIF11
SCHEMBL5604523 0.83 PRKCI (0.47) PRKCITDP1CYP3A4ALDH1A1MEN1
SCHEMBL3783607 0.83 HDAC2 (0.46) TDP1CYP3A4ALDH1A1TP53MEN1
SCHEMBL3790880 0.82 MAP4K4 (0.53) PRKCITDP1CYP3A4MEN1KMT2A
SCHEMBL784058 0.82 PRKCI (0.53) PRKCITDP1CYP3A4ALDH1A1TP53
Water SCHEMBL28643226 0.82 HDAC2 (0.45) TDP1CYP3A4ALDH1A1TP53MEN1
SCHEMBL5017278 0.81 TDP1 (0.48) TDP1CYP3A4ALDH1A1TP53MEN1

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-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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PRKCI 4454/4885TDP1 4196/4885CYP3A4 177/4885

“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.