SCHEMBL3085556

SCHEMBL3085556

Cc1cc[c]cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.66
BCR P11274 12/20 0.66
PRKCA P17252 5/20 0.65
PDGFRB P09619 6/20 0.60
PDGFRA P16234 6/20 0.60
EGFR P00533 5/20 0.59
PRKCD Q05655 2/20 0.59
KIT P10721 2/20 0.56
JAK3 P52333 1/20 0.56
BTK Q06187 1/20 0.56
ITK Q08881 1/20 0.56

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
SCHEMBL4373707 0.85 ABL1 (0.72) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL16932355 0.82 ABL1 (0.76) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL12320924 0.81 ABL1 (0.78) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL23246315 0.81 ABL1 (0.71) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL6859862 0.81 ABL1 (0.71) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL13437240 0.81 ABL1 (0.73) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL1566168 0.80 ABL1 (0.72) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL2392 0.80 ABL1 (1.00) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL3210634 0.80 ABL1 (0.75) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL29366999 0.80 ABL1 (1.00) ABL1BCRPRKCAPDGFRBPDGFRA

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 12 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-1662876-A4 NOVEL CRYSTALLINE FORMS OF A PHOSPHORIC ACID SALT OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO INC (US) 2009-01-14 EP claimed
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 claimed
JP-2007504230-A 2007-03-01 JP claimed
EP-1662876-A2 NOVEL CRYSTALLINE FORMS OF A PHOSPHORIC ACID SALT OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR Merck & Co., Inc. (US) 2006-06-07 EP claimed
WO-2005020920-A2 NOVEL CRYSTALLINE FORMS OF A PHOSPHORIC ACID SALT OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO., INC. (US) 2005-03-10 WO 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
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-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-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 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 ABL1 13/4885BCR 1042/4885PRKCA 346/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA ABL1 13/4885BCR 1022/4885PRKCA 336/4885

“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.