SCHEMBL5452844

SCHEMBL5452844

CN1CCC(Oc2nccc(N3Cc4n[nH]c(NC(=O)c5ccc(F)cc5)c4C3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 14/20 0.43
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
HTR1A P08908 7/20 0.40
HTR1D P28221 6/20 0.40
HTR1B P28222 6/20 0.40
MAPK14 Q16539 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR4 Q13639 1/20 0.40
ACACB O00763 1/20 0.38
MAPK7 Q13164 1/20 0.36
FLT3 P36888 1/20 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
SCHEMBL5457234 0.91 MAPK14 (0.39) HTR1FCCNA2CDK2CCNA1MAPK14
SCHEMBL5452858 0.86 CDK2 (0.50) HTR1FCCNA2CDK2CCNA1MAPK7
SCHEMBL5454768 0.84 FLT3 (0.41) HTR1FHTR1AMAPK14ACACBFLT3
SCHEMBL5447010 0.84 KMT2A (0.39) CCNA2CDK2CCNA1
SCHEMBL5453832 0.80 ALDH1A1 (0.43) HTR1FCCNA2CDK2CCNA1HTR2A
SCHEMBL5454692 0.79 HRH4 (0.39) CCNA2CDK2CCNA1
SCHEMBL5456520 0.77 HRH4 (0.41) CCNA2CDK2CCNA1
SCHEMBL5451831 0.77 CDK2 (0.42) HTR1FCCNA2CDK2CCNA1
SCHEMBL5457243 0.77 AURKA (0.47) CCNA2CDK2CCNA1MAPK7FLT3
SCHEMBL5453843 0.77 RAB9A (0.46) CDK2ACACB

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 4 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
EP-1608364-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-12-28 EP disclosed
WO-2004080457-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-09-23 WO 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 HTR1F 4498/4885CCNA2 1123/4885CDK2 65/4885

“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.