SCHEMBL8963867

SCHEMBL8963867

O=C(c1cccnc1)c1cccc(N2CCCN(C(=O)Oc3ccccc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 6/20 0.44
CYP3A4 P08684 5/20 0.44
CYP2C9 P11712 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 4/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPK1 P28482 2/20 0.44
CYP2D6 P10635 4/20 0.43
PRKCQ Q04759 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
ALOX15 P16050 2/20 0.41
HIF1A Q16665 2/20 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
SCHEMBL8963284 0.92 KMT2A (0.46) MEN1KMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8963170 0.87 PRKCQ (0.46) ALDH1A1SMN1; SMN2KDM4ETSHRCYP3A4
SCHEMBL8963251 0.87 MEN1 (0.45) MEN1KMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8963556 0.87 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8963376 0.85 PRKCQ (0.45) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8963114 0.85 CKS1B (0.55) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8963072 0.84 PRKCQ (0.48) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL15930656 0.84 PRKCQ (0.43) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8963478 0.83 KDM4E (0.49) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12751972 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E

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 MEN1 1427/4885KMT2A 1042/4885NPC1 1348/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MEN1 1427/4885KMT2A 1042/4885NPC1 1348/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MEN1 1427/4885KMT2A 1042/4885NPC1 1348/4885

“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.