Sugi Predict

Sugi Predict / Compounds / SCHEMBL8963346

SCHEMBL8963346

SCHEMBL8963346

O=C(c1cccnc1)c1cccc(N2CCCN(C(=O)Cc3ccccc3Cl)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ RAB9A P51151 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ DGAT1 O75907 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PRKCQ Q04759 1/20 0.40
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ HSD17B14 Q9BPX1 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
SCHEMBL8963478 0.87 KDM4E (0.49) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL8963489 0.84 CKS1B (0.47) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL8963428 0.83 KDM4E (0.54) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL8969817 0.82 PRKCQ (0.62) ALDH1A1KDM4EKMT2ARAB9AHSD17B10
SCHEMBL13857194 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL8964167 0.82 HSD17B14 (0.43) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL8963251 0.82 MEN1 (0.45) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL8963556 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL8963547 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10SMN1; SMN2PRKCQ
SCHEMBL8963422 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMAPTMEN1

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 4211/4885KDM4E 990/4885KMT2A 1042/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885KDM4E 990/4885KMT2A 1042/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885KDM4E 990/4885KMT2A 1042/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4211/4885KDM4E 990/4885KMT2A 1042/4885

“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.