SCHEMBL3633872

SCHEMBL3633872

C#Cc1ccc(F)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
AR P10275 1/20 0.36
GRM4 Q14833 1/20 0.35
CNR2 P34972 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
PTP4A3 O75365 1/20 0.34
PGR P06401 4/20 0.33
KIF11 P52732 1/20 0.33
ACLY P53396 1/20 0.32
FLT3 P36888 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL924361 0.85 TRPV4 (0.45) TRPV4ARGRM4CNR2CYP11B1
SCHEMBL2713742 0.83 MPO (0.38) TRPV4CYP11B1CYP11B2KIF11ACLY
SCHEMBL2390105 0.83 TRPV4 (0.53) TRPV4CYP11B1CYP11B2
SCHEMBL4394514 0.80 MAOB (0.39) TRPV4
SCHEMBL16961256 0.79 TRPV4 (0.41) TRPV4ARGRM4CNR2CYP11B1
SCHEMBL7755299 0.79 TRPV4 (0.41) TRPV4ARGRM4CNR2CYP11B1
SCHEMBL1914223 0.78 MAOA (0.34) TRPV4
SCHEMBL23797569 0.75 TSHR (0.45) ARCYP11B2EGFR
SCHEMBL20915846 0.75 CYP1A2 (0.37)
SCHEMBL30252087 0.75 TSHR (0.45) ARCYP11B2EGFR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646497-B Pyrrolo-triazine ketone derivatives 南京格亚医药科技有限公司 2019-06-04 CN disclosed
CN-105646497-A Pyrrolo-triazinone derivatives 南京格亚医药科技有限公司 2016-06-08 CN disclosed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 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
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
US-8383658-B2 Isoxazole based neuronal nicotinic receptor ligands and methods of use ABBOTT LABORATORIES (US) 2013-02-26 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-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof ABBOTT LABORATORIES (US) 2009-12-10 US disclosed
WO-2009149135-A1 BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2009-12-10 WO disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US 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
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 (3 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-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof XDH, PRDX5, CYP4X1 TRPV4 2663/4885AR 3846/4885GRM4 1321/4885
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 TRPV4 3323/4885AR 2591/4885GRM4 4333/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 TRPV4 3323/4885AR 2591/4885GRM4 4333/4885

“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.