SCHEMBL3787018

SCHEMBL3787018

CSc1cccc(-c2ccc(N)cc2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.38
KIT P10721 2/20 0.38
FLT3 P36888 2/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 5/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 4/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
APP P05067 2/20 0.34
LMNA P02545 3/20 0.34

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
SCHEMBL3788477 0.86 ALDH1A1 (0.46) KDRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL29634405 0.86 ALDH1A1 (0.46) KDRALDH1A1HSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL9535077 0.85 ALDH1A1 (0.45) KDRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL2785165 0.84 ALOX5AP (0.46) ALDH1A1CYP3A4TDP1TP53TAAR1
SCHEMBL3793628 0.81 MAP4K4 (0.46) ALDH1A1CYP3A4KDM4EMAPTSMN1; SMN2
SCHEMBL3792205 0.80 KIT (0.35) KDRKITFLT3ALDH1A1CYP3A4
SCHEMBL3785271 0.77 HPGD (0.46) KDRKITFLT3ALDH1A1CYP3A4
SCHEMBL10862658 0.76 MEN1 (0.38) ALDH1A1CYP3A4KDM4EMAPTSMN1; SMN2
SCHEMBL3789587 0.74 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1HSD17B10KDM4E
SCHEMBL3789435 0.74 CD44 (0.48) KDRKITFLT3ALDH1A1CYP3A4

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 KDR 1921/4885KIT 605/4885FLT3 1004/4885

“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.