SCHEMBL8964901

SCHEMBL8964901

O=C(c1cncc(Br)c1)c1cccc(N2CCCN(C(=O)c3ccccc3Cl)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.41
HSD17B14 Q9BPX1 1/20 0.41
PRKCQ Q04759 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8970244 0.84 PRKCQ (0.51) GBA1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8964005 0.81 HSD17B14 (0.43) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL8964020 0.81 HSD17B14 (0.43) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL8964092 0.81 CKS1B (0.46) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL8963994 0.81 GBA1 (0.48) GBA1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8963966 0.80 HSD17B14 (0.55) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL8963158 0.79 CKS1B (0.55) GBA1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8964155 0.79 HSD17B14 (0.43) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL8964294 0.79 CASP1 (0.48) KDM4EALDH1A1HPGDMAPTHSD17B14
SCHEMBL8964520 0.78 HTT (0.49) HSD17B10KDM4EALDH1A1HPGDKMT2A

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GBA1 1257/4885HSD17B10 3343/4885KDM4E 990/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 GBA1 1257/4885HSD17B10 3343/4885KDM4E 990/4885

“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.