Sugi Predict

Sugi Predict / Compounds / SCHEMBL8964092

SCHEMBL8964092

SCHEMBL8964092

CC(C)(C)C(=O)N1CCCN(c2cccc(C(=O)c3cncc(Br)c3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.46
▸ SKP1 P63208 2/20 0.46
▸ SKP2 Q13309 2/20 0.46
▸ HSD17B14 Q9BPX1 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 4/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ REV1 Q9UBZ9 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL8963158 0.88 CKS1B (0.55) CKS1BSKP1SKP2HSD17B14ALDH1A1
SCHEMBL8964020 0.86 HSD17B14 (0.43) CKS1BSKP1SKP2HSD17B14ALDH1A1
SCHEMBL8964005 0.86 HSD17B14 (0.43) CKS1BSKP1SKP2HSD17B14ALDH1A1
SCHEMBL8963549 0.85 REV1 (0.48) CKS1BSKP1SKP2HSD17B14ALDH1A1
SCHEMBL8963966 0.85 HSD17B14 (0.55) HSD17B14ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8964155 0.84 HSD17B14 (0.43) CKS1BSKP1SKP2HSD17B14ALDH1A1
SCHEMBL8964552 0.84 HSD17B14 (0.42) HSD17B14ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8964520 0.83 HTT (0.49) HSD17B14ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13857116 0.83 PRKCQ (0.45) CKS1BSKP1SKP2HSD17B14RAB9A
SCHEMBL8964433 0.82 HSD17B14 (0.44) HSD17B14ALDH1A1KDM4EHPGDHSD17B10

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 CKS1B 137/4885SKP1 386/4885SKP2 219/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CKS1B 137/4885SKP1 386/4885SKP2 219/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CKS1B 137/4885SKP1 386/4885SKP2 219/4885

“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.