SCHEMBL4148946

SCHEMBL4148946

O=C(Cc1cccs1)Nc1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.53
AURKB Q96GD4 6/20 0.53
POLB P06746 6/20 0.48
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 2/20 0.42
HPGD P15428 2/20 0.42
GAPDH P04406 2/20 0.42
ESR1 P03372 1/20 0.42
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR2 Q92731 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL4148944 1.00 AURKA (0.53) AURKAAURKBPOLBALDH1A1NPSR1
SCHEMBL4144607 0.79 AURKA (0.71) AURKAAURKBPOLBALDH1A1NPSR1
SCHEMBL4144612 0.79 AURKA (0.71) AURKAAURKBPOLBALDH1A1NPSR1
SCHEMBL4149523 0.79 RAB9A (0.43) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL4149516 0.79 RAB9A (0.43) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL4148920 0.77 TTK (0.53) POLBALDH1A1NPSR1KDM4ERAB9A
SCHEMBL14075008 0.76 ABL1 (0.43) RAB9AKMT2AHPGD
SCHEMBL6427567 0.76 ADORA3 (0.44) POLBALDH1A1KDM4ERAB9ALMNA
SCHEMBL13927702 0.72 AURKA (0.62) AURKAAURKBPOLBALDH1A1NPSR1
SCHEMBL4136194 0.72 TTK (0.49) AURKAAURKBPOLBALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B AURKA 726/4885AURKB 608/4885POLB 2798/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885POLB 2534/4885

“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.