SCHEMBL15912936

SCHEMBL15912936

CC(C)(C)N(CCNc1ccnc(Cl)n1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
HRH4 Q9H3N8 6/20 0.39
DNM2 P50570 2/20 0.36
NUDT1 P36639 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HRH2 P25021 1/20 0.34
TLR8 Q9NR97 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
GRM5 P41594 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL15913450 0.82 HRH4 (0.39) HRH3HRH4DNM2
SCHEMBL1319889 0.77 HRH3 (0.67) HRH3HRH4DNM2TLR8
SCHEMBL20974132 0.76 KDM4D (0.40) HRH3HRH4ALDH1A1CYP1A2CYP3A4
SCHEMBL17601006 0.75 MEN1 (0.36) ALDH1A1GRM5
SCHEMBL3909900 0.75 ALDH1A1 (0.47) HRH3HRH4NUDT1ALDH1A1CYP1A2
SCHEMBL3909008 0.74 STK17B (0.55) ALDH1A1CYP1A2CYP3A4HSD17B10CLK4
SCHEMBL15224354 0.74 TSHR (0.44) ALDH1A1MAPK1
SCHEMBL6081911 0.73 HRH4 (0.46) HRH3HRH4NUDT1TLR8STK17A
SCHEMBL4648505 0.72 MAPT (0.40) HRH4NUDT1ALDH1A1CYP1A2CYP3A4
SCHEMBL3300335 0.72 ACHE (0.33) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951169-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-28 EP claimed
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 US claimed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US claimed
US-20150368270-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US claimed
US-20150252008-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-10 US claimed
US-9073876-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-07 US claimed
US-20140221310-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US claimed
EP-2951169-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-28 EP disclosed
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 US disclosed
US-20170327514-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
US-20150368270-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US disclosed
US-20150252008-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-10 US disclosed
US-9073876-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-07 US disclosed
US-20140221310-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US 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 (4 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-20170327514-A1 FLAP MODULATORS FEN1, PGF, TBXA2R HRH3 2530/4885HRH4 2261/4885DNM2 2992/4885
US-20140221310-A1 FLAP MODULATORS FEN1, PGF, PTGIS HRH3 2648/4885HRH4 2486/4885DNM2 3098/4885
US-20150368270-A1 FLAP MODULATORS FEN1, PGF, TBXA2R HRH3 2530/4885HRH4 2261/4885DNM2 2992/4885
US-20150252008-A1 FLAP MODULATORS FEN1, PGF, PTGIS HRH3 2648/4885HRH4 2486/4885DNM2 3098/4885

“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.