SCHEMBL20128445

SCHEMBL20128445

Brc1ccc2ncn(Br)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.41
NPM1 P06748 3/20 0.40
ALK Q9UM73 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLP1R P43220 1/20 0.39
HCAR1 Q9BXC0 2/20 0.39
NCF1 P14598 1/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL31550542 0.83 SIK1 (0.40) NPM1ALKMEN1KMT2ANPC1
SCHEMBL20698048 0.79 PARP1 (0.34) LMNAHPGDMAPK1HTTALDH1A1
SCHEMBL2144640 0.78 DYRK1A (0.51) FABP4NPM1ALKMEN1KMT2A
SCHEMBL3489965 0.73 NPC1 (0.51) FABP4NPM1ALKMEN1KMT2A
SCHEMBL1940039 0.73 NPC1 (0.52) FABP4MEN1KMT2ANPC1LMNA
SCHEMBL23877945 0.73 CYP11B1 (0.45) HCAR1HTTBACE1
SCHEMBL18009808 0.73 GLP1R (0.47) FABP4NPM1ALKMEN1KMT2A
SCHEMBL15272387 0.72 LMNA (0.60) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL10986832 0.72 HTT (0.62) HPGDMAPK1HTTALDH1A1
SCHEMBL12502297 0.72 FABP4 (0.40) FABP4NPM1ALKMEN1KMT2A

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 FABP4 3301/4885NPM1 3462/4885ALK 4206/4885

“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.