SCHEMBL3673824

SCHEMBL3673824

O=C(CO)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.63
CSNK1D P48730 6/20 0.51
MAP4K4 O95819 1/20 0.51
ERBB2 P04626 1/20 0.51
MAPK9 P45984 1/20 0.51
PRKD2 Q9BZL6 1/20 0.51
SLK Q9H2G2 1/20 0.51
CSNK1E P49674 5/20 0.50
MAPK14 Q16539 5/20 0.47
GRIA1 P42261 2/20 0.47
TGFBR1 P36897 3/20 0.46
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
TNIK Q9UKE5 1/20 0.43
TGFBR2 P37173 1/20 0.43
CYP2C9 P11712 1/20 0.42
CACNG2 Q9Y698 1/20 0.42

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
SCHEMBL27788276 0.90 EGFR (0.66) EGFRCSNK1DMAP4K4ERBB2MAPK9
SCHEMBL3668786 0.84 EGFR (0.57) EGFRCSNK1DMAP4K4ERBB2MAPK9
SCHEMBL3670036 0.82 MAPK14 (0.64) EGFRCSNK1DMAP4K4ERBB2MAPK9
SCHEMBL4294191 0.80 EGFR (0.90) EGFRCSNK1DMAP4K4ERBB2MAPK9
SCHEMBL4292705 0.77 EGFR (1.00) EGFRCSNK1DMAP4K4ERBB2MAPK9
Isopropylamine SCHEMBL4791212 0.71 MAPK14 (0.47) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL6004451 0.71 CSNK1D (0.48) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL18041924 0.71 EGFR (0.69) EGFRCSNK1DMAP4K4ERBB2MAPK9
SCHEMBL6004454 0.70 CSNK1E (0.47) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL3668088 0.70 EGFR (0.78) EGFRCSNK1DMAP4K4ERBB2MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101790526-A 5-heteroaryl substituted indazoles as kinase inhibitors ABBOTT GMBH & CO KG 2010-07-28 CN claimed
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
CN-101790526-A 5-heteroaryl substituted indazoles as kinase inhibitors ABBOTT GMBH & CO KG 2010-07-28 CN 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 EGFR 876/4885CSNK1D 143/4885MAP4K4 51/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 EGFR 876/4885CSNK1D 143/4885MAP4K4 51/4885

“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.