SCHEMBL4183068

SCHEMBL4183068

Cc1cccc(CCNc2nc(-c3ccc(F)c(F)c3)ncc2C(C(N)=O)c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.39
JAK3 P52333 1/20 0.39
GBA1 P04062 2/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STAT6 P42226 2/20 0.38
NR3C2 P08235 1/20 0.36
ADRB1 P08588 3/20 0.36
ADRB3 P13945 3/20 0.36
ADRB2 P07550 2/20 0.36
VNN1 O95497 2/20 0.36

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
SCHEMBL4183379 0.92 STAT6 (0.38) JAK3GBA1CYP1A2CYP3A4CYP2C19
SCHEMBL4183372 0.87 STAT6 (0.38) JAK3GBA1CYP1A2CYP3A4CYP2C19
SCHEMBL4184004 0.85 GBA1 (0.44) JAK3GBA1SMN1; SMN2ADRB1ADRB3
SCHEMBL1630574 0.81 GBA1 (0.43) GBA1NR3C2ADRB1ADRB3ADRB2
SCHEMBL4185958 0.80 STAT6 (0.39) JAK3TSHRSMN1; SMN2STAT6NR3C2
SCHEMBL1632043 0.80 ALDH1A1 (0.40) PTAFRJAK3GBA1CYP1A2CYP3A4
SCHEMBL4186002 0.80 GBA1 (0.46) GBA1NR3C2ADRB1ADRB3ADRB2
SCHEMBL13743392 0.79 LMNA (0.44) PTAFRJAK3GBA1CYP1A2CYP3A4
SCHEMBL1629879 0.77 GBA1 (0.39) GBA1ALDH1A1SMN1; SMN2ADRB1ADRB3
SCHEMBL1632673 0.77 GBA1 (0.47) GBA1NR3C2ADRB1ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 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 (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-20090198057-A1 Certain Chemical Entities, Compositions, and Methods MYLK, MYH2, MYH10 PTAFR 1043/4885JAK3 2944/4885GBA1 3801/4885

“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.