SCHEMBL5501090

SCHEMBL5501090

Fc1ncc(-c2cccs2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
CYP2E1 P05181 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2B6 P20813 1/20 0.53
KDM4E B2RXH2 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MAPT P10636 4/20 0.45
FLT3 P36888 1/20 0.44
LTA4H P09960 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL3398924 0.83 CYP2A6 (0.52) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL27373489 0.81 CYP2C9 (0.52) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL5499265 0.81 CYP3A4 (0.52) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL13917342 0.78 CYP2C9 (0.53) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL22477816 0.77 PDGFRB (0.46) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL16532869 0.77 PDGFRB (0.59) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL2827765 0.77 FYN (0.56) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL10408880 0.77 KDM4E (0.52) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL18789395 0.76 CYP3A4 (0.67) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL14088054 0.75 CYP2C9 (0.55) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 US disclosed
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 US disclosed
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 US disclosed
EP-1753750-A1 THIOPHENE HETEROARYL AMINES Sugen, Inc. (US) 2007-02-21 EP disclosed
WO-2005113548-A1 THIOPHENE HETEROARYL AMINES SUGEN, INC. (US) 2005-12-01 WO 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-20070293484-A1 Thiophene Heteroaryl Amines TTK, CHEK2, ABL1 CYP2C9 4115/4885CYP2E1 2799/4885CYP3A4 3539/4885

“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.