SCHEMBL8963431

SCHEMBL8963431

O=C(c1cccnc1)c1cccc(N2CCCN(C(=O)C3CCCCC3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
HSD11B1 P28845 3/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.44
GBA1 P04062 1/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
PRKCQ Q04759 3/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 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
SCHEMBL8963416 0.96 KDM4E (0.46) HCRTR1HCRTR2HSD11B1KDM4EALDH1A1
SCHEMBL8963316 0.91 CNR2 (0.50) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL8964245 0.87 PRKCQ (0.43) HSD11B1KDM4EALDH1A1SMN1; SMN2HSD17B14
SCHEMBL8963458 0.87 ALDH1A1 (0.55) HSD11B1KDM4EALDH1A1SMN1; SMN2HSD17B14
SCHEMBL8963072 0.85 PRKCQ (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B14GBA1
SCHEMBL8963337 0.85 KDM4E (0.57) HSD11B1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8963409 0.85 PRKCQ (0.45) HSD11B1KDM4EALDH1A1SMN1; SMN2HSD17B14
SCHEMBL8963556 0.85 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2GBA1LMNA
SCHEMBL8963547 0.84 ALDH1A1 (0.49) HSD11B1KDM4EALDH1A1SMN1; SMN2HSD17B14
SCHEMBL8963489 0.83 CKS1B (0.47) KDM4EALDH1A1SMN1; SMN2HSD17B14LMNA

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 6 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
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 (4 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 HCRTR1 4793/4885HCRTR2 4781/4885HSD11B1 3452/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HCRTR1 4793/4885HCRTR2 4781/4885HSD11B1 3452/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HCRTR1 4793/4885HCRTR2 4781/4885HSD11B1 3452/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HCRTR1 4793/4885HCRTR2 4781/4885HSD11B1 3452/4885

“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.