SCHEMBL19699701

SCHEMBL19699701

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2nc4ccc(F)cc4[nH]2)[C@H]2CCN3C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.39
▸ DGAT1 O75907 3/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ PIK3CA P42336 7/20 0.39
▸ MTOR P42345 7/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ KIT P10721 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CG P48736 1/20 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
SCHEMBL19699135 0.93 ABL1 (0.39) SCDDGAT1ADORA2AKCNH2PIK3CA
SCHEMBL16754294 0.83 TRPV1 (0.48) —
SCHEMBL16776485 0.83 HCRTR1 (0.40) SCDPIK3CAMTORAKT1HCRTR1
SCHEMBL17618519 0.83 SCD (0.43) SCDPIK3CAMTORABL1
SCHEMBL17618511 0.82 SCD (0.39) SCDPIK3CAMTORABL1
SCHEMBL16776511 0.79 MTOR (0.41) SCDKCNH2PIK3CAMTORPIK3CD
SCHEMBL17618691 0.78 ABL1 (0.38) SCDPIK3CAMTORABL1
SCHEMBL16754408 0.78 PIK3CA (0.39) SCDKCNH2PIK3CAMTORABL1
SCHEMBL16754592 0.78 PIK3CA (0.41) SCDKCNH2PIK3CAMTORPIK3CD
SCHEMBL16754549 0.78 PIK3CA (0.41) SCDKCNH2PIK3CAMTORPIK3CD

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCD 1161/4885DGAT1 1396/4885ADORA2A 3217/4885

“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.

Send feedback