SCHEMBL8969853

SCHEMBL8969853

Cc1ccc(CC(=O)N2CCCN(c3cccc(C(=O)c4cc(Br)cnc4N)n3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PRKCQ Q04759 10/20 0.49
PRKCA P17252 2/20 0.45
PRKCD Q05655 2/20 0.45
GBA1 P04062 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8970074 0.93 PRKCQ (0.48) KDM4ESMN1; SMN2PRKCQPRKCAPRKCD
SCHEMBL8970084 0.93 PRKCQ (0.49) KDM4ESMN1; SMN2PRKCQPRKCAPRKCD
SCHEMBL13857181 0.92 KDM4E (0.51) KDM4ESMN1; SMN2PRKCQPRKCAPRKCD
SCHEMBL9008256 0.89 PRKCQ (0.47) KDM4ESMN1; SMN2PRKCQPRKCAPRKCD
SCHEMBL8969640 0.86 PRKCQ (0.66) KDM4ESMN1; SMN2PRKCQPRKCAPRKCD
SCHEMBL8970034 0.84 PRKCQ (0.49) KDM4ESMN1; SMN2PRKCQPRKCAPRKCD
SCHEMBL1481470 0.84 PRKCQ (0.49) KDM4ESMN1; SMN2PRKCQPRKCAPRKCD
SCHEMBL8964078 0.84 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2GBA1MEN1KMT2A
SCHEMBL9010401 0.83 PRKCQ (0.53) KDM4ESMN1; SMN2PRKCQPRKCAPRKCD
SCHEMBL8969876 0.83 PRKCQ (0.53) PRKCQPRKCAPRKCD

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 7 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-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
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 KDM4E 990/4885SMN1; SMN2 1649/4885PRKCQ 38/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885SMN1; SMN2 1649/4885PRKCQ 38/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885SMN1; SMN2 1649/4885PRKCQ 38/4885

“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.