SCHEMBL3640238

SCHEMBL3640238

O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2ccc3[nH]ncc3c2)on1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.59
GSK3B P49841 4/20 0.59
PIM1 P11309 3/20 0.59
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGES O14684 1/20 0.49
TRPA1 O75762 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
DYRK1A Q13627 4/20 0.48
CLK4 Q9HAZ1 3/20 0.48
STK17A Q9UEE5 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
ROCK1 Q13464 5/20 0.47
AURKA O14965 3/20 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
SCHEMBL3666554 0.86 ROCK2 (0.62) ROCK2GSK3BPIM1NPC1RAB9A
SCHEMBL3636127 0.85 ROCK2 (0.61) ROCK2GSK3BPIM1NPC1RAB9A
SCHEMBL3670364 0.83 ROCK2 (0.67) ROCK2GSK3BPIM1NPC1RAB9A
SCHEMBL3671813 0.83 ROCK2 (0.62) ROCK2GSK3BPIM1NPC1MAPT
SCHEMBL3634570 0.83 ROCK2 (0.61) ROCK2GSK3BPIM1MAPTKMT2A
SCHEMBL3636281 0.83 ROCK2 (0.58) ROCK2GSK3BPIM1NPC1RAB9A
SCHEMBL5407860 0.81 CTNNB1 (0.60) ROCK2PTGESROCK1CTNNB1WNT3A
SCHEMBL3670618 0.81 RAB9A (0.66) ROCK2GSK3BPIM1NPC1RAB9A
SCHEMBL3669674 0.79 ROCK2 (0.56) ROCK2GSK3BPIM1NPC1RAB9A
SCHEMBL3636595 0.79 ROCK2 (0.61) ROCK2GSK3BPIM1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP claimed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US claimed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO 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.