Sugi Predict

Sugi Predict / Compounds / SCHEMBL8964020

SCHEMBL8964020

SCHEMBL8964020

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B14 Q9BPX1 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ PRKCQ Q04759 1/20 0.40
▸ HTT P42858 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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 0.90 CKS1B (0.55) HSD17B14ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8964005 0.86 HSD17B14 (0.43) HSD17B14ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8964092 0.86 CKS1B (0.46) HSD17B14ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8963170 0.85 PRKCQ (0.46) HSD17B14ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8963966 0.85 HSD17B14 (0.55) HSD17B14ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8964520 0.83 HTT (0.49) HSD17B14ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13857182 0.83 PRKCQ (0.45) HSD17B14HPGDHSD17B10HRH3CKS1B
SCHEMBL8964433 0.82 HSD17B14 (0.44) HSD17B14ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9010401 0.82 PRKCQ (0.53) ALDH1A1KDM4EHRH3CKS1BSKP1
SCHEMBL8963994 0.82 GBA1 (0.48) HSD17B14ALDH1A1HPGDKDM4EHSD17B10

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 2544/4885ALDH1A1 4211/4885HPGD 2526/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885ALDH1A1 4211/4885HPGD 2526/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885ALDH1A1 4211/4885HPGD 2526/4885

“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.