SCHEMBL8964155

SCHEMBL8964155

O=C(c1cncc(Br)c1)c1cccc(N2CCCN(C(=O)CC(F)(F)F)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 4/20 0.37
ALOX15 P16050 1/20 0.37
PRKCQ Q04759 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL8964441 0.88 HSD17B14 (0.42) HSD17B14ALDH1A1KDM4EPRKCQSMN1; SMN2
SCHEMBL8963422 0.86 ALDH1A1 (0.43) HSD17B14ALDH1A1KDM4EPRKCQSMN1; SMN2
SCHEMBL8963994 0.85 GBA1 (0.48) HSD17B14GAAALDH1A1HPGDKDM4E
SCHEMBL8964092 0.84 CKS1B (0.46) HSD17B14GAAALDH1A1HPGDKDM4E
SCHEMBL8964078 0.83 SMN1; SMN2 (0.49) HSD17B14GAAALDH1A1HPGDKDM4E
SCHEMBL1481470 0.83 PRKCQ (0.49) HSD17B14ALDH1A1KDM4EHSD17B10PRKCQ
SCHEMBL13857201 0.83 PRKCQ (0.42) HSD17B14ALDH1A1KDM4EPRKCQSMN1; SMN2
SCHEMBL8964048 0.83 HSD17B14 (0.41) HSD17B14GAAALDH1A1HPGDKDM4E
SCHEMBL8964005 0.82 HSD17B14 (0.43) HSD17B14GAAALDH1A1HPGDKDM4E
SCHEMBL8964020 0.82 HSD17B14 (0.43) HSD17B14GAAALDH1A1HPGDKDM4E

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 5 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-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (3 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 HSD17B14 2544/4885GAA 765/4885ALDH1A1 4211/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885GAA 765/4885ALDH1A1 4211/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885GAA 765/4885ALDH1A1 4211/4885

“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.