Sugi Predict

Sugi Predict / Compounds / SCHEMBL20168369

SCHEMBL20168369

SCHEMBL20168369

O=C(O)c1cc2ccc(-c3cn[nH]c3)nc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.56
▸ ROCK1 Q13464 7/20 0.56
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CLK2 P49760 3/20 0.37
▸ HIPK1 Q86Z02 3/20 0.37
▸ HIPK2 Q9H2X6 3/20 0.37
▸ HIPK3 Q9H422 3/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ DYRK2 Q92630 2/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ IRAK4 Q9NWZ3 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
SCHEMBL20168523 0.88 ROCK1 (0.61) ROCK2ROCK1KDM4EALDH1A1AKT1
SCHEMBL18254788 0.74 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL18254786 0.73 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20181641 0.73 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL20181638 0.73 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL20181388 0.72 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL21376352 0.72 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL30806841 0.71 ALDH1A1 (0.53) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL18249385 0.71 ALDH1A1 (0.53) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL20181637 0.71 ROCK1 (0.69) ROCK2ROCK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807966-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-10-20 — — US disclosed
US-10807966-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-10-20 — — US disclosed
EP-3541806-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Translational Drug Development, LLC (US) 2019-09-25 — — EP disclosed
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-09-19 — — US disclosed
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-09-19 — — US disclosed
WO-2018094362-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-05-24 — — WO disclosed
WO-2018094362-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-05-24 — — WO 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 (2 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-10807966-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885MEN1 1098/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885MEN1 1098/4885

“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.