SCHEMBL5534710

SCHEMBL5534710

CN1CCN(c2cccc(NC(=O)N(c3ccccc3)c3ccn[nH]3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
BTK Q06187 1/20 0.46
HTR2C P28335 2/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
HTR2A P28223 2/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR7 P34969 2/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
FLT3 P36888 3/20 0.42
SETD2 Q9BYW2 1/20 0.42
PRKD1 Q15139 1/20 0.41
FGFR1 P11362 1/20 0.41
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL5529017 0.89 NPC1 (0.52) KDRBTKFLT3MEN1KMT2A
SCHEMBL5526278 0.79 MEN1 (0.53) KDM1AMEN1USP2MAPTHTT
SCHEMBL28000258 0.73 HTR2A (0.64) KDRKITPDGFRAHTR2CCASP3
SCHEMBL3434704 0.71 NPC1 (0.55) KDRBTKMEN1KMT2A
SCHEMBL30577378 0.71 HTR1D (0.60) BTKCASP3CASP7HTR2AHTR1D
SCHEMBL22410915 0.70 HTR2A (0.59) HTR2CCASP3CASP7HTR2AHTR1D
SCHEMBL77343 0.69 NPC1 (0.47) KDRBTKFLT3MEN1MAPT
SCHEMBL2536426 0.68 NPC1 (0.54) KDRBTKMEN1USP2MAPT
SCHEMBL3788577 0.68 BTK (0.57) KDRBTKMEN1KMT2A
SCHEMBL29521619 0.68 HTR2A (0.52) HTR2CCASP3CASP7HTR2AHTR1D

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-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 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-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 KDR 422/4885KIT 282/4885PDGFRA 822/4885

“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.