Sugi Predict

Sugi Predict / Compounds / SCHEMBL3669940

SCHEMBL3669940

SCHEMBL3669940

CCCC[Sn](CCCC)(CCCC)c1nnn(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.48
▸ IDO1 P14902 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GRM2 Q14416 2/20 0.42
▸ SLC9A1 P19634 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ CDC7 O00311 2/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ PRKACA P17612 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ HIPK2 Q9H2X6 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAPK13 O15264 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
SCHEMBL4295553 0.92 CDC7 (0.46) CYP19A1IDO1GRM2SLC9A1CDC7
SCHEMBL4638838 0.85 POLB (0.38) CYP19A1ALDH1A1GRM2POLB
SCHEMBL4292554 0.85 CDC7 (0.44) CYP19A1IDO1GRM2SLC9A1POLB
SCHEMBL3670826 0.84 CDC7 (0.41) CYP19A1IDO1GRM2CDC7MAP4K4
SCHEMBL4292592 0.84 GRM2 (0.41) CYP19A1IDO1ALDH1A1TSHRGRM2
SCHEMBL4284826 0.83 KMT2A (0.48) CYP19A1IDO1ALDH1A1TSHRGRM2
SCHEMBL4291497 0.82 GRM2 (0.39) CYP19A1IDO1ALDH1A1GRM2SLC9A1
SCHEMBL3667322 0.79 ROCK2 (0.43) CYP19A1IDO1ALDH1A1GRM2SLC9A1
SCHEMBL15510526 0.78 TSHR (0.45) CYP19A1ALDH1A1TSHRPOLB
SCHEMBL3673183 0.78 CDC7 (0.48) IDO1GRM2CDC7MAP4K4PIM1

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-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 CYP19A1 2191/4885IDO1 801/4885ALDH1A1 2761/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 CYP19A1 2191/4885IDO1 801/4885ALDH1A1 2761/4885

“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.