SCHEMBL4428210

SCHEMBL4428210

[O]c1nccc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.41
PKM P14618 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
SYK P43405 6/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
LOX P28300 1/20 0.37
IDH1 O75874 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTR2C P28335 3/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
IDH2 P48735 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL31038939 0.77 GABRA1 (0.50) ADRB1TAS2R14PKMLOXL2SYK
SCHEMBL17959 0.77 GABRA1 (0.50) ADRB1TAS2R14PKMLOXL2SYK
SCHEMBL27285543 0.74 ADRB1 (0.44) ADRB1TAS2R14PKMLOXL2SYK
SCHEMBL3295825 0.74 MALT1 (0.47) ADRB1TAS2R14PKMLOXL2SYK
SCHEMBL482717 0.73 TRPV4 (0.45) ADRB1TAS2R14PKMLOXL2SYK
SCHEMBL1968808 0.73 ADRB1 (0.43) ADRB1TAS2R14PKMLOXL2SYK
SCHEMBL2873952 0.73 ADRB1 (0.43) ADRB1TAS2R14PKMLOXL2SYK
SCHEMBL1337601 0.73 ADRB1 (0.43) ADRB1TAS2R14PKMLOXL2SYK
SCHEMBL17049228 0.73 ADRB1 (0.43) ADRB1TAS2R14PKMLOXL2SYK
SCHEMBL14625676 0.73 ADRB1 (0.43) ADRB1TAS2R14PKMLOXL2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 US claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 US claimed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 US claimed
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-04-16 US claimed
EP-2852586-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2015-04-01 EP claimed
WO-2015042111-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2015-03-26 WO claimed
US-20150080397-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-03-19 US claimed
US-20150080398-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-03-19 US claimed
EP-2834232-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2015-02-11 EP claimed
US-8916555-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2014-12-23 US claimed
US-20130303492-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2013-11-14 US claimed
US-20130274227-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-10-17 US claimed
WO-2013138617-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 WO claimed
WO-2013138613-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 WO claimed
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 US claimed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 EP claimed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20130274227-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ADRB1 1551/4885TAS2R14 3750/4885PKM 316/4885
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 ADRB1 981/4885TAS2R14 2212/4885PKM 212/4885
US-20150080398-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ADRB1 1551/4885TAS2R14 3750/4885PKM 316/4885
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ADRB1 1551/4885TAS2R14 3750/4885PKM 316/4885
US-20150080397-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 ADRB1 981/4885TAS2R14 2212/4885PKM 212/4885
US-20130303492-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ADRB1 1551/4885TAS2R14 3750/4885PKM 316/4885
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 ADRB1 28/4885TAS2R14 1099/4885PKM 1559/4885

“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.