SCHEMBL8964239

SCHEMBL8964239

Cc1ccoc1C(=O)N1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PARP1 P09874 1/20 0.42
PRKCQ Q04759 1/20 0.42
HSD17B14 Q9BPX1 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
GBA1 P04062 1/20 0.39
CFTR P13569 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPT P10636 1/20 0.39
FABP6 P51161 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL8964216 0.84 GBA1 (0.55) ALDH1A1SMN1; SMN2KDM4EPRKCQGBA1
SCHEMBL13857200 0.84 PRKCQ (0.52) ALDH1A1SMN1; SMN2MEN1KMT2APARP1
SCHEMBL8963556 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8963321 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EKMT2APRKCQ
SCHEMBL8963072 0.83 PRKCQ (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8970041 0.82 PRKCQ (0.65) ALDH1A1MEN1KMT2APARP1PRKCQ
SCHEMBL8963499 0.82 SIGLEC9 (0.50) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8963376 0.81 PRKCQ (0.45) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8963170 0.80 PRKCQ (0.46) ALDH1A1SMN1; SMN2KDM4EPRKCQHSD17B14
SCHEMBL8963549 0.80 REV1 (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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 ALDH1A1 4211/4885SMN1; SMN2 1649/4885KDM4E 990/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885SMN1; SMN2 1649/4885KDM4E 990/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885SMN1; SMN2 1649/4885KDM4E 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.