SCHEMBL8964216

SCHEMBL8964216

Cc1ccccc1C(=O)N1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 11/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.49
PRKCQ Q04759 1/20 0.48
POLB P06746 1/20 0.46
FABP6 P51161 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
SCHEMBL8963556 0.88 ALDH1A1 (0.57) GBA1HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8963072 0.85 PRKCQ (0.48) GBA1SMN1; SMN2ALDH1A1KDM4EPRKCQ
SCHEMBL8964239 0.84 ALDH1A1 (0.45) GBA1HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8963499 0.84 SIGLEC9 (0.50) HTTSMN1; SMN2ALDH1A1KDM4EPRKCQ
SCHEMBL8963321 0.83 ALDH1A1 (0.56) GBA1SMN1; SMN2ALDH1A1KDM4EPRKCQ
SCHEMBL8970170 0.83 PRKCQ (0.71) GBA1ALDH1A1PRKCQ
SCHEMBL8963376 0.83 PRKCQ (0.45) HTTSMN1; SMN2ALDH1A1KDM4EPRKCQ
SCHEMBL8963170 0.82 PRKCQ (0.46) SMN1; SMN2ALDH1A1KDM4EPRKCQ
SCHEMBL8963549 0.82 REV1 (0.48) SMN1; SMN2ALDH1A1KDM4EPRKCQ
SCHEMBL8963489 0.82 CKS1B (0.47) SMN1; SMN2ALDH1A1KDM4EPRKCQ

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GBA1 1257/4885HTT 983/4885SMN1; SMN2 1649/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 GBA1 1257/4885HTT 983/4885SMN1; 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.