SCHEMBL3667322

SCHEMBL3667322

CCCC[Sn](CCCC)(CCCC)c1nnn(Cc2ccccc2)c1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
PIM1 P11309 2/20 0.43
PRKACA P17612 2/20 0.43
CDK2 P24941 2/20 0.43
MAPK1 P28482 2/20 0.43
AURKA O14965 1/20 0.43
CHUK O15111 1/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43
FGFR1 P11362 1/20 0.43
MARK3 P27448 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL4297826 0.94 CDC7 (0.44) ROCK2PIM1PRKACACDK2MAPK1
SCHEMBL4292592 0.81 GRM2 (0.41) ROCK2PRKACACDK2MAPK1MAPK13
SCHEMBL4708607 0.81 GABRA2 (0.35) JAK2GRM2
SCHEMBL4289574 0.79 CDC7 (0.45) CDC7CNR2SLC9A1GRM2CYP19A1
SCHEMBL4291497 0.79 GRM2 (0.39) CDC7SLC9A1GRM2CYP19A1KDM4E
SCHEMBL3669940 0.79 CYP19A1 (0.48) ROCK2PIM1PRKACACDK2MAPK1
SCHEMBL4284874 0.78 CDC7 (0.46) CDC7CNR2CYP19A1KDM4E
SCHEMBL4292554 0.75 CDC7 (0.44) PIM1PRKACACDK2MAPK1AURKA
SCHEMBL4295553 0.74 CDC7 (0.46) ROCK2PIM1PRKACACDK2MAPK1
SCHEMBL4291525 0.73 PDE8B (0.40) CNR2

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 ROCK2 48/4885PIM1 11/4885PRKACA 178/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885PIM1 11/4885PRKACA 178/4885

“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.