Sugi Predict

Sugi Predict / Compounds / SCHEMBL8963362

SCHEMBL8963362

SCHEMBL8963362

O=C(c1cccnc1)c1cccc(N2CCCN(C(=O)CCC(F)(F)F)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B14 Q9BPX1 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PRKCQ Q04759 3/20 0.41
▸ DPP4 P27487 1/20 0.39
▸ PRKCA P17252 2/20 0.39
▸ PRKCD Q05655 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL8963422 0.91 ALDH1A1 (0.43) ALDH1A1HSD17B14KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963489 0.85 CKS1B (0.47) ALDH1A1HSD17B14KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963437 0.85 PRKCQ (0.44) ALDH1A1HSD17B14KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963478 0.85 KDM4E (0.49) ALDH1A1HSD17B14KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963406 0.85 JAK2 (0.43) ALDH1A1HSD17B14KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963368 0.83 PRKCQ (0.44) ALDH1A1HSD17B14KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963547 0.83 ALDH1A1 (0.49) ALDH1A1HSD17B14KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963428 0.83 KDM4E (0.54) ALDH1A1HSD17B14KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963072 0.82 PRKCQ (0.48) ALDH1A1HSD17B14KDM4ESMN1; SMN2PRKCQ
SCHEMBL8963254 0.82 PRKCQ (0.46) ALDH1A1HSD17B14KDM4ESMN1; 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 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 ALDH1A1 4211/4885HSD17B14 2544/4885KDM4E 990/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885HSD17B14 2544/4885KDM4E 990/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885HSD17B14 2544/4885KDM4E 990/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885HSD17B14 2544/4885KDM4E 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.