SCHEMBL4044796

SCHEMBL4044796

COc1cc2c(cc1OCCCn1ccnc1)Cc1c-2n[nH]c1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.52
CHEK1 O14757 2/20 0.51
CSF1R P07333 2/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 2/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
ERBB2 P04626 2/20 0.41
CIT O14578 1/20 0.41
GAK O14976 1/20 0.41
EPHB6 O15197 1/20 0.41
ABCC4 O15439 1/20 0.41
DAPK3 O43293 1/20 0.41
RIPK2 O43353 1/20 0.41
NR1I2 O75469 1/20 0.41
RPS6KA4 O75676 1/20 0.41
STK17B O94768 1/20 0.41
STK10 O94804 1/20 0.41
PRKD3 O94806 1/20 0.41
ABCB11 O95342 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
SCHEMBL4043475 0.89 CHEK1 (0.52) EGFRCHEK1PDGFRBKDRFGFR1
SCHEMBL4047676 0.88 CSF1R (0.54) EGFRCHEK1CSF1RKDRERBB2
SCHEMBL4042373 0.87 EGFR (0.57) EGFRCHEK1CSF1RKDRERBB2
SCHEMBL4040847 0.87 PDGFRB (0.47) EGFRPDGFRBERBB2
SCHEMBL4045532 0.86 EGFR (0.47) EGFRCHEK1CSF1RPDGFRBKDR
SCHEMBL4042157 0.85 EGFR (0.59) EGFRCHEK1CSF1RKDRERBB2
SCHEMBL4044415 0.85 PDGFRB (0.55) EGFRCHEK1PDGFRBKDRFGFR1
SCHEMBL4044252 0.84 EGFR (0.54) EGFRCHEK1CSF1RPDGFRBKDR
SCHEMBL4042307 0.84 PDGFRB (0.43) EGFRPDGFRBERBB2
SCHEMBL4039079 0.81 GRM4 (0.42) EGFRCHEK1CSF1RPDGFRBKDR

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 11 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
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 (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 EGFR 26/4885CHEK1 152/4885CSF1R 269/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA EGFR 24/4885CHEK1 151/4885CSF1R 384/4885

“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.