SCHEMBL1680596

SCHEMBL1680596

Nc1ncccc1C(=O)NCc1ccc(Cc2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.50
NSD2 O96028 3/20 0.48
PDPK1 O15530 1/20 0.47
MAPK8 P45983 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NAPRT Q6XQN6 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
USP2 O75604 1/20 0.43
PIK3CD O00329 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ADORA2A P29274 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL12352325 0.87 PDPK1 (0.52) PDPK1KDM4ELMNAHTTKMT2A
SCHEMBL1681029 0.87 ROCK1 (0.45) NSD2PDPK1KMT2A
SCHEMBL1681097 0.84 LMNA (0.50) PRKCIPDPK1MAPK8KDM4EPIK3CD
SCHEMBL1681254 0.83 ADORA2A (0.45) NSD2PDPK1KDM4EEGLN1ADORA2A
SCHEMBL922492 0.83 NSD2 (0.66) PRKCINSD2MAPK8ATMNAPRT
SCHEMBL922034 0.81 PRKCI (0.53) PRKCINSD2MAPK8ATMKDM4E
SCHEMBL1681266 0.81 PRKCI (0.50) PRKCINSD2MAPK8ATMNAPRT
SCHEMBL922032 0.81 NSD2 (0.56) PRKCINSD2MAPK8ATMKDM4E
SCHEMBL1680415 0.81 MAPK8 (0.52) PRKCIPDPK1MAPK8KDM4ENAPRT
SCHEMBL922870 0.79 SGMS2 (0.46) PRKCINSD2PDPK1MAPK8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 PRKCI 4136/4885NSD2 4758/4885PDPK1 1865/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD PRKCI 3940/4885NSD2 3738/4885PDPK1 2156/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PRKCI 4135/4885NSD2 4757/4885PDPK1 1851/4885

“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.