SCHEMBL8964213

SCHEMBL8964213

O=C(c1cccnc1)c1cccc(N2CCCN(C(=O)c3cccs3)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 3/20 0.46
PRKCQ Q04759 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL8963556 0.86 ALDH1A1 (0.57) MAPTKMT2AMEN1MAPK1HTT
SCHEMBL8963499 0.84 SIGLEC9 (0.50) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL8964240 0.84 KMT2A (0.45) MAPTKMT2AMEN1MAPK1HTT
SCHEMBL8963072 0.83 PRKCQ (0.48) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL13857114 0.81 PRKCQ (0.55) ALDH1A1KDM4ESMN1; SMN2GAAPRKCQ
SCHEMBL8969878 0.81 PRKCQ (0.68) MAPTALDH1A1GAAPRKCQLMNA
SCHEMBL8963416 0.81 KDM4E (0.46) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL8964216 0.81 GBA1 (0.55) HTTALDH1A1KDM4ESMN1; SMN2PRKCQ
SCHEMBL8964208 0.81 PRKCQ (0.64) KMT2AALDH1A1KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963549 0.81 REV1 (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E

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 MAPT 770/4885KMT2A 1042/4885MEN1 1427/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MAPT 770/4885KMT2A 1042/4885MEN1 1427/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MAPT 770/4885KMT2A 1042/4885MEN1 1427/4885

“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.