Sugi Predict

Sugi Predict / Compounds / SCHEMBL8964288

SCHEMBL8964288

SCHEMBL8964288

O=C(c1cncc(Br)c1)c1cccc(N2CCCN(CCO)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.45
▸ HSD17B14 Q9BPX1 2/20 0.44
▸ DRD3 P35462 2/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PHF13 Q86YI8 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL8964283 0.96 HSD17B14 (0.45) PIM1HSD17B14DRD3HRH4L3MBTL1
SCHEMBL8964520 0.90 HTT (0.49) HSD17B14DRD3HRH4L3MBTL1PHF13
SCHEMBL8964479 0.89 CASP1 (0.47) HSD17B14DRD3HRH4L3MBTL1PHF13
SCHEMBL8964080 0.89 CACNA1I (0.48) PIM1HSD17B14DRD3HRH4L3MBTL1
SCHEMBL8964454 0.87 HSD17B14 (0.42) HSD17B14DRD3HRH4PRKCQALDH1A1
SCHEMBL8964552 0.87 HSD17B14 (0.42) HSD17B14DRD3HRH4L3MBTL1PHF13
SCHEMBL8964294 0.87 CASP1 (0.48) HSD17B14ALDH1A1HTTHPGDMAPT
SCHEMBL8963966 0.86 HSD17B14 (0.55) PIM1HSD17B14PRKCQALDH1A1HTT
SCHEMBL8964267 0.84 HSD17B14 (0.42) HSD17B14DRD3HRH4L3MBTL1PHF13
SCHEMBL13857242 0.82 PRKCQ (0.47) PIM1HSD17B14DRD3PRKCQALDH1A1

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 PIM1 425/4885HSD17B14 2544/4885DRD3 4836/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PIM1 425/4885HSD17B14 2544/4885DRD3 4836/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PIM1 425/4885HSD17B14 2544/4885DRD3 4836/4885

“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.