Sugi Predict

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SCHEMBL8964441

SCHEMBL8964441

C=Cc1cncc(C(=O)c2cccc(N3CCCN(C(=O)CC(F)(F)F)CC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B14 Q9BPX1 2/20 0.42
▸ PIM2 Q9P1W9 1/20 0.36
▸ PRKCQ Q04759 2/20 0.35
▸ HSD11B1 P28845 3/20 0.35
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ IDE P14735 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMO Q99835 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM6A O15550 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ PRKCA P17252 1/20 0.32

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
SCHEMBL8964155 0.88 HSD17B14 (0.43) HSD17B14PIM2PRKCQHSD11B1SMN1; SMN2
SCHEMBL1481443 0.84 PRKCQ (0.48) HSD17B14PRKCQHRH4PRKCAPRKCD
SCHEMBL13857202 0.84 PRKCQ (0.42) HSD17B14PRKCQHSD11B1KDM4ESMO
SCHEMBL8963422 0.84 ALDH1A1 (0.43) HSD17B14PRKCQIRAK4SMN1; SMN2PKM
SCHEMBL8963929 0.82 CKS1B (0.51) HSD17B14PIM2PRKCQ
SCHEMBL8964879 0.81 HSD17B14 (0.53) HSD17B14PIM2PRKCQHSD11B1KDM4E
SCHEMBL8964722 0.79 HSD17B14 (0.43) HSD17B14PIM2PRKCQHSD11B1PRKCA
SCHEMBL8964036 0.79 PRKCA (0.52) HSD17B14PIM2PRKCQHSD11B1IRAK4
SCHEMBL8970210 0.78 PRKCQ (0.49) HSD17B14PRKCQSMOHRH4PRKCA
SCHEMBL8963362 0.76 ALDH1A1 (0.46) HSD17B14PRKCQIRAK4SMN1; SMN2PKM

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 2544/4885PIM2 415/4885PRKCQ 38/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885PIM2 415/4885PRKCQ 38/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885PIM2 415/4885PRKCQ 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.