Sugi Predict

Sugi Predict / Compounds / SCHEMBL3632707

SCHEMBL3632707

SCHEMBL3632707

C[C@@H](NC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1)c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.66
▸ GSK3B P49841 4/20 0.66
▸ PIM1 P11309 3/20 0.66
▸ THRB P10828 3/20 0.64
▸ TSHR P16473 1/20 0.52
▸ DYRK1A Q13627 5/20 0.51
▸ CLK4 Q9HAZ1 5/20 0.51
▸ STK17A Q9UEE5 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ ROCK1 Q13464 5/20 0.47
▸ CLK2 P49760 4/20 0.47
▸ AURKA O14965 3/20 0.47
▸ DAPK3 O43293 3/20 0.47
▸ JAK2 O60674 3/20 0.47
▸ GSK3A P49840 3/20 0.47
▸ CDK5 Q00535 3/20 0.47
▸ AURKB Q96GD4 3/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ PRKACA P17612 2/20 0.47
▸ KDR P35968 2/20 0.47

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
SCHEMBL3635053 1.00 ROCK2 (0.66) ROCK2GSK3BPIM1THRBTSHR
SCHEMBL4295851 0.91 ROCK2 (0.67) ROCK2GSK3BPIM1THRBTSHR
SCHEMBL4286440 0.91 ROCK2 (0.67) ROCK2GSK3BPIM1THRBTSHR
SCHEMBL3673482 0.90 ROCK2 (0.66) ROCK2GSK3BPIM1THRBTSHR
SCHEMBL4288803 0.90 ROCK2 (0.66) ROCK2GSK3BPIM1THRBTSHR
SCHEMBL4291905 0.90 ROCK2 (0.68) ROCK2GSK3BPIM1THRBTSHR
SCHEMBL4285228 0.90 ROCK2 (0.68) ROCK2GSK3BPIM1THRBTSHR
SCHEMBL4291700 0.89 ROCK2 (0.63) ROCK2GSK3BPIM1THRBTSHR
SCHEMBL4289384 0.87 ROCK2 (0.63) ROCK2GSK3BPIM1THRBTSHR
SCHEMBL3665672 0.84 ROCK2 (0.60) ROCK2GSK3BPIM1THRBTSHR

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-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 — — US claimed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 — — US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 — — US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 — — US disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 — — EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 — — US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 — — 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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885PIM1 11/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885PIM1 11/4885

“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.