SCHEMBL4136194

SCHEMBL4136194

O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.49
ALDH1A1 P00352 6/20 0.47
POLB P06746 5/20 0.47
SMN1; SMN2 Q16637 9/20 0.46
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
HTT P42858 1/20 0.46
ESR1 P03372 1/20 0.46
STAT3 P40763 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
GAPDH P04406 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL4148920 0.86 TTK (0.53) TTKALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL2861507 0.80 TTK (0.47) TTKALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL2868770 0.79 AURKA (0.51) TTKALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL4136721 0.79 MAPK8 (0.50) TTKNPC1RAB9AMAPK1AURKB
SCHEMBL2866649 0.78 USP2 (0.48) TTKALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14074986 0.77 GSK3B (0.56) NPC1RAB9AMAPK8MAPK9GSK3B
SCHEMBL2860243 0.76 TTK (0.50) TTKALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL6426161 0.75 ADORA3 (0.54) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL4041685 0.72 POLB (0.62) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL4148946 0.72 AURKA (0.53) ALDH1A1POLBSMN1; SMN2KMT2AMEN1

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 8 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 TTK 246/4885ALDH1A1 2731/4885POLB 2798/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TTK 240/4885ALDH1A1 2713/4885POLB 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.