SCHEMBL8964827

SCHEMBL8964827

O=C(c1cncc(Br)c1)c1cccc(N2CCC(N3CCCCC3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.56
L3MBTL1 Q9Y468 6/20 0.56
L3MBTL4 Q8NA19 2/20 0.56
MBTD1 Q05BQ5 2/20 0.48
HSD17B14 Q9BPX1 1/20 0.47
OPRK1 P41145 1/20 0.45
HSD11B1 P28845 4/20 0.43
HRH3 Q9Y5N1 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8964576 0.99 L3MBTL3 (0.57) L3MBTL3L3MBTL1L3MBTL4MBTD1HSD17B14
SCHEMBL15930667 0.91 L3MBTL3 (0.49) L3MBTL3L3MBTL1L3MBTL4MBTD1HSD17B14
SCHEMBL8964313 0.88 HSD17B14 (0.49) L3MBTL3L3MBTL1L3MBTL4MBTD1HSD17B14
SCHEMBL9011525 0.81 PRKCQ (0.53) MBTD1OPRK1HSD11B1HRH3
SCHEMBL9011442 0.80 PRKCQ (0.54) OPRK1HRH3
SCHEMBL8963966 0.79 HSD17B14 (0.55) HSD17B14HSD11B1HTTMEN1NPC1
SCHEMBL8964454 0.79 HSD17B14 (0.42) HSD17B14HSD11B1HTTMEN1NPC1
SCHEMBL8964520 0.78 HTT (0.49) L3MBTL3L3MBTL1HSD17B14HSD11B1HRH3
SCHEMBL8964821 0.77 ALOX15 (0.44) HSD17B14HTTALOX15
SCHEMBL8964283 0.77 HSD17B14 (0.45) L3MBTL3L3MBTL1HSD17B14HTTMEN1

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-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 L3MBTL3 2612/4885L3MBTL1 2582/4885L3MBTL4 2355/4885

“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.