SCHEMBL12302467

SCHEMBL12302467

Cc1ccc(-c2cnc3c(Br)cc(C(C)(C)C)cc3n2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF20B Q96Q89 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
DHODH Q02127 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TNF P01375 1/20 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
SCHEMBL12302465 0.73 ADRA2A (0.32) MEN1KMT2A
SCHEMBL26104894 0.70 TSHR (0.41) NPC1RAB9ATP53HPGDTSHR
SCHEMBL3801852 0.64 PRNP (0.35) RAB9AHPGDTSHRNPSR1TDP1
SCHEMBL25527295 0.64 HIF1A (0.34) HPGDTSHRMAPK1TDP1
SCHEMBL9090752 0.61 ALDH1A1 (0.47) F2RL3
SCHEMBL13870955 0.61 CASR (0.34) NPC1RAB9AHPGDTSHRNPSR1
SCHEMBL9911398 0.60 METAP1 (0.47) PIK3CAPIK3CBPIK3CGNPC1RAB9A
SCHEMBL27985386 0.60 MEN1 (0.52) NPC1RAB9AHPGDNPSR1MEN1
SCHEMBL11507014 0.60 NPC1 (0.46) NPC1RAB9ATP53HPGDTSHR
SCHEMBL20043284 0.59 KIF20B (0.34) KIF20B

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-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 KIF20B 4384/4885F2RL3 1168/4885DHODH 1658/4885

“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.