SCHEMBL4148474

SCHEMBL4148474

NC(=O)c1ccc(Oc2cccc(F)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.54
PIM1 P11309 2/20 0.54
PRKACA P17612 2/20 0.54
CDK2 P24941 2/20 0.54
FLT4 P35916 2/20 0.54
KDR P35968 2/20 0.54
CSNK1D P48730 2/20 0.54
GSK3A P49840 2/20 0.54
GSK3B P49841 2/20 0.54
RPS6KA3 P51812 2/20 0.54
PLK1 P53350 2/20 0.54
CSNK2A1 P68400 2/20 0.54
CDK5 Q00535 2/20 0.54
PRKCD Q05655 2/20 0.54
DYRK1A Q13627 2/20 0.54
PLK3 Q9H4B4 2/20 0.54
SGK2 Q9HBY8 2/20 0.54
CDC7 O00311 1/20 0.54
DYRK3 O43781 1/20 0.54
ROCK2 O75116 1/20 0.54

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
SCHEMBL4161369 0.84 CYP3A4 (0.42) CDK1PIM1PRKACACDK2FLT4
SCHEMBL4156126 0.82 ICAM1 (0.54) KMT2APARP1CHEK2F10PARP10
SCHEMBL4155387 0.82 ICAM1 (0.54) CDK1PIM1PRKACACDK2FLT4
SCHEMBL4155072 0.81 ICAM1 (0.49) KMT2AKCNH2PARP10MAOBPARP14
SCHEMBL4144009 0.81 PARP10 (0.50) KMT2APARP1PARP10PARP14TNKS
SCHEMBL4154998 0.79 PRSS1 (0.43) MAP4K4F10PARP10PARP14TNKS
SCHEMBL4163256 0.77 CDC7 (0.51) CDK1PIM1PRKACACDK2FLT4
SCHEMBL4150602 0.76 SPHK2 (0.51) KMT2AF10PARP10MAOB
SCHEMBL5697493 0.73 MRGPRX1 (0.45) CDK1PIM1PRKACACDK2FLT4
SCHEMBL5697491 0.73 MRGPRX1 (0.39) CDK1PIM1PRKACACDK2FLT4

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
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
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 (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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD CDK1 576/4885PIM1 4379/4885PRKACA 3499/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 CDK1 290/4885PIM1 789/4885PRKACA 1563/4885

“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.