SCHEMBL4145182

SCHEMBL4145182

Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.49
IKBKB O14920 1/20 0.44
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
KDR P35968 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
BTK Q06187 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAP4K1 Q92918 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRM4 Q14833 1/20 0.40

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
SCHEMBL4137865 0.85 MAPKAPK2 (0.44) MAPKAPK2IKBKBCDK4CCNA2CCND1
SCHEMBL4146418 0.81 ITK (0.61) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL4145599 0.79 ADORA2A (0.43) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL4149447 0.78 CLK2 (0.47) ADORA2AADORA1MAP4K1AURKA
SCHEMBL4153491 0.78 CA12 (0.49) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL2471795 0.77 MAP4K1 (0.47) KDRMAPK8MAPK9MAP4K1ALDH1A1
SCHEMBL13927625 0.74 IDO1 (0.63) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL4136721 0.74 MAPK8 (0.50) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL2863193 0.73 MAPKAPK2 (0.46) MAPKAPK2IKBKBCDK4CCNA2CCND1
SCHEMBL4143459 0.73 MAPK9 (0.49) MAPKAPK2IKBKBCDK4CCNA2CCND1

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 7 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
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 MAPKAPK2 8/4885IKBKB 225/4885CDK4 256/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPKAPK2 7/4885IKBKB 256/4885CDK4 260/4885

“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.