SCHEMBL21165376

SCHEMBL21165376

Cn1nc(C(=O)O)c2c1-c1cc(Br)ccc1OC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.58
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3R2 O00459 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PIK3R5 Q8WYR1 1/20 0.44
PIK3R3 Q92569 1/20 0.44
TP53 P04637 1/20 0.42

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
SCHEMBL16709822 0.86 NR1H4 (0.51) NR1H4MAPTPOLBTP53
SCHEMBL2173369 0.85 NR1H4 (0.53) NR1H4MAPTPOLBPIK3CDPIK3R2
SCHEMBL21165153 0.85 NR1H4 (0.58) NR1H4MAPTPOLBTP53
SCHEMBL2546275 0.85 NR1H4 (0.65) NR1H4MAPTPOLBTP53
SCHEMBL19810671 0.83 NR1H4 (0.48) NR1H4MAPTPOLBPIK3CDPIK3R2
SCHEMBL2174453 0.82 MAPT (0.64) NR1H4MAPTPOLBTP53
SCHEMBL16709827 0.80 NR1H4 (0.45) NR1H4MAPTPOLBPIK3CDPIK3R2
SCHEMBL18198083 0.79 NR1H4 (0.76) NR1H4MAPTPOLB
SCHEMBL2171176 0.78 MAPT (0.46) NR1H4MAPTPOLBPIK3CDPIK3R2
SCHEMBL16709823 0.78 NR1H4 (0.55) NR1H4MAPTPOLBTP53

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
EP-3288948-B1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2019-11-20 EP disclosed
US-10351576-B2 Fused tricyclic pyrazole derivatives useful for farnesoid X receptors NOVARTIS AG (CH) 2019-07-16 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-10351576-B2 Fused tricyclic pyrazole derivatives useful for farnesoid X receptors NR1H4, FXR1, GPBAR1 NR1H4 1/4885MAPT 3926/4885POLB 4671/4885

“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.