SCHEMBL4043029

SCHEMBL4043029

CN(C)CCCOc1ccc2c(c1)Cc1c-2n[nH]c1Nc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
CACNA1B Q00975 6/20 0.44
CACNA1H O95180 3/20 0.42
MAPK14 Q16539 1/20 0.40
CHEK1 O14757 2/20 0.39
C3AR1 Q16581 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.37
LTA4H P09960 1/20 0.36
PDK2 Q15119 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDGFRB P09619 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
SCHEMBL4047919 0.90 HRH3 (0.43) HRH3CACNA1BCACNA1HCHEK1PDK2
SCHEMBL4045291 0.90 HRH3 (0.43) HRH3CACNA1BCACNA1HMAPK14CHEK1
SCHEMBL4211398 0.89 HRH3 (0.43) HRH3CACNA1BCACNA1HMAPK14CHEK1
SCHEMBL4043441 0.89 PDGFRB (0.39) HRH3MAPK14CHEK1ADORA2AKDM4E
SCHEMBL4040342 0.84 HRH3 (0.43) HRH3CACNA1BCHEK1SMN1; SMN2LTA4H
SCHEMBL4045066 0.84 PDGFRB (0.44) HRH3CACNA1BCACNA1HCHEK1PDK2
SCHEMBL4051452 0.83 PDGFRB (0.51) MAPK14CHEK1KDM4EMEN1KMT2A
SCHEMBL4047538 0.81 CACNA1B (0.39) CACNA1BCACNA1HCHEK1PDGFRB
SCHEMBL4043059 0.81 CHEK1 (0.45) HRH3CHEK1KDM4ESMN1; SMN2MEN1
SCHEMBL4049788 0.81 PDGFRB (0.44) CHEK1KDM4EMEN1KMT2APDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
CN-100396670-C N-substituted 3-aminobenzene-pyrazoles as PDFG receptor inhibitors, pharmaceutical compositions and uses JANSSEN PHARMACEUTICA NV (BE) 2008-06-25 CN disclosed
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders HO CHIH Y 2007-06-21 US disclosed
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders HO CHIH Y 2007-06-21 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US disclosed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN 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 (2 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-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA HRH3 775/4885CACNA1B 2147/4885CACNA1H 3537/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA HRH3 722/4885CACNA1B 2209/4885CACNA1H 3632/4885

“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.