SCHEMBL14722641

SCHEMBL14722641

N#Cc1cccc2[nH]cc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
DYRK1A Q13627 3/20 0.46
SLC6A4 P31645 2/20 0.45
MAP2K1 Q02750 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
LRRK2 Q5S007 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PSMB8 P28062 1/20 0.38
NR4A2 P43354 1/20 0.37
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MCL1 Q07820 1/20 0.36
NR3C2 P08235 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 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
SCHEMBL12309709 0.85 DYRK1A (0.54) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL31663297 0.78 SLC6A4 (0.48) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL3778298 0.78 IMPDH2 (0.47) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL12361360 0.78 SLC6A4 (0.48) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL15826494 0.76 GPR84 (0.64) SLC6A4GPR84CA1CA2CA9
SCHEMBL29764387 0.76 GPR84 (0.64) SLC6A4GPR84CA1CA2CA9
SCHEMBL24328229 0.74 SLC6A4 (0.45) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL11761255 0.74 CYP2A6 (0.58) IMPDH2IMPDH1SLC6A4MAP2K1MCL1
SCHEMBL29953438 0.74 CYP2A6 (0.58) IMPDH2IMPDH1SLC6A4MAP2K1MCL1
SCHEMBL20562230 0.74 SLC6A4 (0.38) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 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 (1 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 IMPDH2 4339/4885IMPDH1 3768/4885DYRK1A 483/4885

“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.