SCHEMBL8963556

SCHEMBL8963556

O=C(c1cccnc1)c1cccc(N2CCCN(C(=O)c3ccccc3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 2/20 0.49
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
SLC6A7 Q99884 4/20 0.48
GBA1 P04062 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PRKCQ Q04759 1/20 0.45

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
SCHEMBL8963072 0.88 PRKCQ (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL8964216 0.88 GBA1 (0.55) ALDH1A1KDM4ESMN1; SMN2GBA1HTT
SCHEMBL8963478 0.87 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8963867 0.87 MEN1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8963416 0.86 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL8964213 0.86 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL8963170 0.85 PRKCQ (0.46) ALDH1A1KDM4ESMN1; SMN2CKS1BSKP1
SCHEMBL8963549 0.85 REV1 (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL8963489 0.85 CKS1B (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL8963417 0.85 PRKCQ (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT

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-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 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 ALDH1A1 4211/4885KDM4E 990/4885SMN1; SMN2 1649/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885KDM4E 990/4885SMN1; SMN2 1649/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885KDM4E 990/4885SMN1; SMN2 1649/4885

“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.