SCHEMBL15528774

SCHEMBL15528774

FC(F)(F)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.52
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
BRD4 O60885 1/20 0.39
NPBWR1 P48145 2/20 0.39
CYP11B1 P15538 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SRPK1 Q96SB4 1/20 0.38
S1PR1 P21453 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CHKA P35790 1/20 0.37
ROCK2 O75116 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP11B2 P19099 1/20 0.36
TNIK Q9UKE5 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
SCHEMBL15603592 0.94 EPHB4 (0.50) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15528912 0.90 EPHB4 (0.41) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15528813 0.90 EPHB4 (0.41) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15603620 0.89 TRPV1 (0.45) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15603565 0.88 CYP11B2 (0.42) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15603595 0.84 HDAC1 (0.44) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15603551 0.84 HDAC1 (0.47) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15603586 0.83 HDAC1 (0.47) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15603583 0.83 HDAC1 (0.50) HDAC1HDAC8HDAC6BRD4ROCK2
SCHEMBL15528990 0.83 BRD4 (0.41) HDAC1HDAC8HDAC6BRD4ROCK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
EP-2844260-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 WO disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 WO 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-20150099779-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC EPHB4 425/4885HDAC1 460/4885HDAC8 426/4885

“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.