SCHEMBL5658726

SCHEMBL5658726

FC(F)(F)c1c[c]c2ccncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
CHUK O15111 1/20 0.40
P2RX1 P51575 1/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
CYP1A2 P05177 2/20 0.34
METAP2 P50579 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
SORT1 Q99523 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL5660013 0.77 CHUK (0.35) CHUK
SCHEMBL7164162 0.76 BACE1 (0.39) KIF11TSHRMEN1KMT2AMETAP2
SCHEMBL457843 0.74 TSHR (0.39) KIF11P2RX1TSHRMEN1KMT2A
SCHEMBL5657919 0.74 CHUK (0.36) CHUK
SCHEMBL5926099 0.73 IMPDH2 (0.33) CYP1A2
SCHEMBL5660431 0.71 CYP1A2 (0.35) CYP1A2
SCHEMBL31478776 0.71 KIF11 (0.49) KIF11CHUKMETAP2AKT1
SCHEMBL29963616 0.71 KIF11 (0.49) KIF11CHUKMETAP2AKT1
SCHEMBL9998096 0.71 KIF11 (0.49) KIF11CHUKMETAP2AKT1
SCHEMBL11139756 0.71 KIF11 (0.49) KIF11CHUKMETAP2AKT1

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 KIF11 4884/4885CHUK 581/4885P2RX1 14/4885

“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.