SCHEMBL5456520

SCHEMBL5456520

CC(C)Nc1nccc(N2Cc3n[nH]c(NC(=O)c4ccc(F)cc4)c3C2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.41
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 4/20 0.38
KCNH2 Q12809 3/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
IDH1 O75874 8/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5449357 0.90 HRH4 (0.41) HRH4F2MAPTKMT2AIDH1
SCHEMBL5454692 0.86 HRH4 (0.39) HRH4F2MAPTKMT2ACCNA2
SCHEMBL5456511 0.84 CCNA2 (0.56) HRH4CCNA2CDK2CCNA1
SCHEMBL5447010 0.82 KMT2A (0.39) F2MAPTKMT2AIDO1KCNH2
SCHEMBL5459485 0.82 IDH1 (0.43) KMT2AIDH1RAB9ASMN1; SMN2
SCHEMBL5453832 0.80 ALDH1A1 (0.43) CCNA2CDK2CCNA1ALDH1A1
SCHEMBL5453843 0.80 RAB9A (0.46) MAPTCDK2RAB9ASMN1; SMN2
SCHEMBL5451959 0.78 CDK2 (0.43) CCNA2CDK2CCNA1ALDH1A1SMN1; SMN2
SCHEMBL5452844 0.77 HTR1F (0.43) CCNA2CDK2CCNA1
SCHEMBL5454247 0.77 F2 (0.39) HRH4F2KMT2ACDK2CYP2C9

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 HRH4 3846/4885F2 4351/4885MAPT 217/4885

“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.