SCHEMBL4049945

SCHEMBL4049945

Nc1ccc2c(c1)Cc1c-2n[nH]c1Nc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.51
PDGFRB P09619 2/20 0.47
ERBB2 P04626 1/20 0.40
ABL1 P00519 2/20 0.40
PRKCA P17252 1/20 0.40
KDR P35968 1/20 0.36
ABL2 P42684 1/20 0.36
HTR1A P08908 2/20 0.36
HTR1D P28221 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR7 P34969 2/20 0.36
HTR2B P41595 2/20 0.36
HTR5A P47898 2/20 0.36
HTR6 P50406 2/20 0.36
HTR1B P28222 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
BRAF P15056 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
SCHEMBL3087803 0.87 KDR (0.45) EGFRPDGFRBABL1PRKCAKDR
SCHEMBL4042509 0.86 KDR (0.51) EGFRPDGFRBABL1KDRHTR2B
SCHEMBL4040017 0.86 EGFR (0.51) EGFRPDGFRBERBB2ABL1PRKCA
SCHEMBL4043559 0.84 PDGFRB (0.53) EGFRPDGFRBKDR
SCHEMBL4041898 0.84 PDGFRB (0.53) EGFRPDGFRBABL1PRKCAKDR
SCHEMBL4043619 0.83 PDGFRB (0.46) EGFRPDGFRBERBB2ABL1PRKCA
SCHEMBL4045623 0.82 PDGFRB (0.42) EGFRPDGFRBKDRAURKB
SCHEMBL4041095 0.82 PDGFRB (0.45) EGFRPDGFRBABL1PRKCAKDR
SCHEMBL4044946 0.80 PDGFRB (0.55) PDGFRB
SCHEMBL4040264 0.80 FLT3 (0.43) EGFRPDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA EGFR 26/4885PDGFRB 2/4885ERBB2 20/4885

“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.