SCHEMBL5451959

SCHEMBL5451959

O=C(Nc1[nH]nc2c1CN(c1ccnc(N3CCN(CCO)CC3)n1)C2)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
HTR2C P28335 3/20 0.41
HTR2A P28223 3/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD4 P21917 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
ACHE P22303 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CCNE1 P24864 1/20 0.37

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
SCHEMBL5454400 0.90 ACHE (0.39) CDK2CCNA2CCNA1HTR2ADRD2
SCHEMBL5451831 0.88 CDK2 (0.42) CDK2CCNA2CCNA1KDM4EALDH1A1
SCHEMBL5453843 0.87 RAB9A (0.46) CDK2HTTSMN1; SMN2CCNE1
SCHEMBL5453832 0.86 ALDH1A1 (0.43) CDK2CCNA2CCNA1HTR2CHTR2A
SCHEMBL5451960 0.85 CCNA2 (0.51) CDK2CCNA2CCNA1HTR2CHTR2A
SCHEMBL5451912 0.83 ACHE (0.41) DRD2DRD4ACHEALDH1A1TSHR
SCHEMBL5454354 0.81 SMN1; SMN2 (0.42) ACHEHTTSMN1; SMN2
SCHEMBL5447010 0.79 KMT2A (0.39) CDK2CCNA2CCNA1SMN1; SMN2TRPV1
SCHEMBL5446059 0.78 AURKA (0.36) HTR2ADRD2DRD3KDM4EALDH1A1
SCHEMBL5456520 0.78 HRH4 (0.41) CDK2CCNA2CCNA1ALDH1A1SMN1; 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 CDK2 65/4885CCNA2 1123/4885CCNA1 915/4885

“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.