SCHEMBL5657674

SCHEMBL5657674

FC(F)(F)c1[c]c2ccncc2cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KIF11 P52732 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
IMPDH2 P12268 2/20 0.30

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
SCHEMBL5660703 0.75 PDE3B (0.33) PDE3BPDE3AIMPDH2
SCHEMBL456001 0.72 ALDH1A1 (0.32)
SCHEMBL20561929 0.71 IMPDH2 (0.36) PDE3BPDE3AIMPDH2
SCHEMBL8339212 0.67 AR (0.36) PDE3BPDE3AIMPDH2
SCHEMBL8344902 0.67 MAOA (0.41)
SCHEMBL18207643 0.65 CYP1A2 (0.35)
SCHEMBL5658726 0.64 KIF11 (0.41) KDM5AKDM4CKIF11
SCHEMBL6066739 0.64 CYP2A6 (0.34)
SCHEMBL6066540 0.62 HPRT1 (0.45) POLB
SCHEMBL11139756 0.62 KIF11 (0.49) KIF11

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 KDM5A 4109/4885KDM4C 3619/4885KIF11 4884/4885

“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.