Sugi Predict

Sugi Predict / Compounds / SCHEMBL8964167

SCHEMBL8964167

SCHEMBL8964167

O=C(c1cccnc1)c1cccc(N2CCCN(C(=O)Cc3cccc(O)c3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B14 Q9BPX1 2/20 0.43
▸ ME2 P23368 2/20 0.42
▸ ME1 P48163 2/20 0.42
▸ ME3 Q16798 2/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PRKCQ Q04759 2/20 0.40
▸ CXCR3 P49682 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL8963478 0.91 KDM4E (0.49) HSD17B14ME2ME1ME3FNTA
SCHEMBL8964048 0.88 HSD17B14 (0.41) HSD17B14ME2ME1ME3GBA1
SCHEMBL8963428 0.86 KDM4E (0.54) HSD17B14FNTAFNTBGBA1KDM4E
SCHEMBL8963489 0.84 CKS1B (0.47) HSD17B14KDM4EALDH1A1SMN1; SMN2PRKCQ
SCHEMBL13857163 0.82 PRKCQ (0.51) ME2ME1ME3GBA1KDM4E
SCHEMBL9007648 0.82 PRKCQ (0.62) ME2ME1ME3KDM4EALDH1A1
SCHEMBL8963346 0.82 ALDH1A1 (0.56) HSD17B14FNTAFNTBKDM4EALDH1A1
SCHEMBL8963362 0.82 ALDH1A1 (0.46) HSD17B14KDM4EALDH1A1SMN1; SMN2PRKCQ
SCHEMBL8963547 0.81 ALDH1A1 (0.49) HSD17B14KDM4EALDH1A1SMN1; SMN2PRKCQ
SCHEMBL8963422 0.81 ALDH1A1 (0.43) HSD17B14KDM4EALDH1A1SMN1; SMN2PRKCQ

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 HSD17B14 2544/4885ME2 1934/4885ME1 2093/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885ME2 1934/4885ME1 2093/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885ME2 1934/4885ME1 2093/4885

“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.