SCHEMBL5447010

SCHEMBL5447010

CCOc1nccc(N2Cc3n[nH]c(NC(=O)c4ccc(F)cc4)c3C2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
F2 P00734 1/20 0.39
CCNA2 P20248 6/20 0.38
CDK2 P24941 6/20 0.38
CCNA1 P78396 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
NTRK1 P04629 3/20 0.35
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5454352 0.90 KMT2A (0.40) KMT2AMAPTF2SMN1; SMN2MEN1
SCHEMBL5452844 0.84 HTR1F (0.43) CCNA2CDK2CCNA1
SCHEMBL5447000 0.84 CCNA2 (0.56) CCNA2CDK2CCNA1NTRK1
SCHEMBL5448086 0.82 NPC1 (0.43) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL5456520 0.82 HRH4 (0.41) KMT2AMAPTF2CCNA2CDK2
SCHEMBL5454692 0.80 HRH4 (0.39) KMT2AMAPTF2CCNA2CDK2
SCHEMBL5453832 0.80 ALDH1A1 (0.43) CCNA2CDK2CCNA1
SCHEMBL5453843 0.80 RAB9A (0.46) MAPTCDK2SMN1; SMN2NPC1RAB9A
SCHEMBL5451959 0.79 CDK2 (0.43) CCNA2CDK2CCNA1SMN1; SMN2TRPV1
SCHEMBL5451831 0.79 CDK2 (0.42) KMT2ACCNA2CDK2CCNA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 US claimed
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 US 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 (1 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 KMT2A 2155/4885MAPT 217/4885F2 4351/4885

“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.