SCHEMBL4437706

SCHEMBL4437706

Cc1cc(-c2ccncc2NC(=O)OCc2ccccc2)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K1 Q92918 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TACR3 P29371 1/20 0.37
SYK P43405 1/20 0.37
BACE1 P56817 2/20 0.37
KCNA5 P22460 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4444719 0.76 PPID (0.36) MAP4K1
SCHEMBL4444624 0.75 PIM2 (0.44)
SCHEMBL15104444 0.73 MAP4K1 (0.30) MAP4K1
SCHEMBL24326710 0.72 CRHR1 (0.40) POLBNPSR1TACR3
SCHEMBL3766520 0.71 TACR3 (0.47) ROCK2NPC1RAB9APOLBMAOB
SCHEMBL24298823 0.70 L3MBTL1 (0.39) NPSR1
SCHEMBL4435014 0.66 POLB (0.62) TRPV1ROCK2NPC1RAB9APOLB
SCHEMBL12202605 0.66 TACR3 (0.41) TRPV1ROCK2MAP4K1NPC1RAB9A
SCHEMBL18089229 0.66 ATR (0.46) RAB9A
SCHEMBL14195874 0.66 POLB (0.44) TRPV1NPC1RAB9APOLBSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TRPV1 4724/4885ROCK2 519/4885MAP4K1 43/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TRPV1 4724/4885ROCK2 519/4885MAP4K1 43/4885

“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.