SCHEMBL4149533

SCHEMBL4149533

Ic1cc2c(-c3ccc4ccccc4c3)n[nH]c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
KDR P35968 1/20 0.41
NOTUM Q6P988 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
IKBKB O14920 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
CA12 O43570 1/20 0.38
CYP1A2 P05177 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL4136943 0.81 CA12 (0.49) MAPK8MAPK9MAPK10CDK4CCNA2
SCHEMBL4149107 0.80 KDR (0.44) MAPK8MAPK9MAPK10CDK4CCNA2
SCHEMBL4149111 0.79 MAPK8 (0.40) MAPK8MAPK9MAPK10CDK4CCNA2
SCHEMBL4151913 0.79 ADORA2A (0.43) MAPK8MAPK9MAPK10CDK4CCNA2
SCHEMBL4150074 0.76 MAPK8 (0.45) MAPK8MAPK9MAPK10CDK4CCNA2
SCHEMBL4149069 0.73 KDR (0.49) MAPK8MAPK9CCNA2CDK2KDR
SCHEMBL4137031 0.72 S1PR5 (0.42) MAPK8CDK4CCNA2CCND1CDK2
SCHEMBL6425955 0.72 TP53 (0.39) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL20035103 0.71 HTR2B (0.42) MAPK8MAPK9MAPK10CDK4CCNA2
SCHEMBL13927625 0.71 IDO1 (0.63) MAPK8MAPK9MAPK10CDK4CCNA2

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 MAPK8 40/4885MAPK9 51/4885MAPK10 80/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK8 39/4885MAPK9 62/4885MAPK10 92/4885

“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.