SCHEMBL4040728

SCHEMBL4040728

Clc1cccc(Cl)c1CNc1[nH]nc2c1Cc1c(OCCCN3CCOCC3)cccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 4/20 0.40
TSHR P16473 3/20 0.40
EIF2AK1 Q9BQI3 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
TIPARP Q7Z3E1 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 4/20 0.38
EGFR P00533 1/20 0.38
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL4046441 0.90 KDM4E (0.49) CHEK1KDM4EUSP2CYP2D6TSHR
SCHEMBL4042770 0.85 KDM4E (0.50) CHEK1KDM4EUSP2CYP2D6TSHR
SCHEMBL4041506 0.83 EGFR (0.50) CHEK1KDM4EUSP2EPHX2EGFR
SCHEMBL13146325 0.79 EGFR (0.50) CHEK1KDM4ECYP2D6EPHX2CYP2C19
SCHEMBL4043694 0.78 KDM4E (0.49) CHEK1KDM4EEPHX2ALDH1A1
SCHEMBL4050672 0.75 EIF2AK1 (0.52) CHEK1KDM4EUSP2EIF2AK1CYP1A2
SCHEMBL4044806 0.73 EIF2AK1 (0.34) EIF2AK1POLBLMNA
SCHEMBL4043398 0.69 CHEK1 (0.60) CHEK1EGFR
SCHEMBL4049927 0.68 EIF2AK1 (0.39) CHEK1KDM4ECYP2D6TSHREIF2AK1
SCHEMBL4044488 0.68 ALDH1A1 (0.35) CHEK1KDM4EALDH1A1SMN1; SMN2POLB

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
EP-2027126-A2 CRYSTALLINE FORMS OF 5-CHLORO-6- (2, 6-DIFLUORO-4-[3- (METHYLAMINO) PROPOXY] PHENYL)-N-((1S)-2, 2, 2,-TRIFLUORO-1-METHYLETHYL][1,2,4]TRIAZOLO [1,5-A]PYRIMIDIN-7-AMINE SALTS Wyeth Holdings Corporation (US) 2009-02-25 EP disclosed
WO-2007136692-A2 CRYSTALLINE FORMS OF 5-CHLORO-6- (2, 6-DIFLUORO-4- [3- (METHYLAMINO) PROPOXY] PHENYL)-N-((1S)-2, 2, 2,-TRIFLUORO-1-METHYLETHYL] [1,2,4] TRIAZOLO [1,5-A] PYRIMIDIN-7-AMINE SALTS WYETH HOLDINGS CORPORATION (US) 2007-11-29 WO 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 CHEK1 152/4885KDM4E 2367/4885USP2 4400/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CHEK1 151/4885KDM4E 2319/4885USP2 4312/4885

“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.