SCHEMBL6806284

SCHEMBL6806284

Nc1nc(CC(=O)N2CCc3cc(NC(=O)c4ccccc4-c4cccc(C(F)(F)F)c4)ccc32)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.43
EIF2AK3 Q9NZJ5 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
EIF2AK1 Q9BQI3 2/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
YES1 P07947 1/20 0.43
RET P07949 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
KIT P10721 1/20 0.43
EIF2AK2 P19525 1/20 0.43
AXL P30530 1/20 0.43
NEK4 P51957 1/20 0.43
MAP3K9 P80192 1/20 0.43
MAP3K10 Q02779 1/20 0.43
MERTK Q12866 1/20 0.43

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
SCHEMBL6804642 0.93 MTTP (0.47) LMNATP53MAPTMTTPSMO
SCHEMBL6805171 0.86 SMO (0.52) RIPK1EIF2AK3CYP1A2CYP3A4CYP2C9
SCHEMBL6803455 0.86 MAPT (0.44) EIF2AK3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6808866 0.86 SLC12A2 (0.46) EIF2AK3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6803963 0.84 GAA (0.44) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6804506 0.84 MTTP (0.48) LMNATP53MTTPSMOAPOB
SCHEMBL6802265 0.83 RIPK1 (0.42) RIPK1EIF2AK3CYP1A2CYP3A4CYP2C9
SCHEMBL6667516 0.83 TP53 (0.42) RIPK1EIF2AK3CYP1A2CYP3A4CYP2C9
SCHEMBL6670249 0.82 MAPT (0.42) EIF2AK3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6667700 0.82 SMO (0.49) RIPK1EIF2AK3LMNAMAPTMTTP

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 RIPK1 3523/4885EIF2AK3 2638/4885CYP1A2 516/4885

“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.