SCHEMBL3085848

SCHEMBL3085848

O=CNCCOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
ADH1B P00325 3/20 0.37
ADH1A P07327 3/20 0.37
ADH7 P40394 3/20 0.37
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
ADH1C P00326 2/20 0.34
ALDH1A1 P00352 3/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
ADH4 P08319 1/20 0.33
KDM4E B2RXH2 1/20 0.30
KCNH3 Q9ULD8 1/20 0.30

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
SCHEMBL28734863 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1ADH1B
SCHEMBL404646 0.98
SCHEMBL19509844 0.86 ADH1B (0.37) MEN1KMT2AADH1BADH1AADH7
SCHEMBL10940490 0.85 ADH1B (0.48) MEN1KMT2AADH1BADH1AADH7
SCHEMBL19140519 0.84 ADH1B (0.38) MEN1KMT2ATSHRMAPK1ADH1B
SCHEMBL24134647 0.83 ADH1B (0.37) TSHRMAPK1ADH1BADH1AADH7
SCHEMBL10001824 0.82
SCHEMBL27302343 0.79 ADH1B (0.39) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL24798076 0.79 ADH1B (0.39) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3657411 0.78

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 15 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
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
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
CN-114364798-A Combination of Dbait molecules with kinase inhibitors for the treatment of cancer 欧恩科斯欧公司 2022-04-15 CN disclosed
EP-2794595-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
CN-103732746-B Treatment of cancer by combining DNA molecules that mimic double strand breaks with hyperthermia INST CURIE (FR) 2016-01-20 CN disclosed
CN-104788523-A Optimized in vivo delivery system with endosomolytic agents for nucleic acid conjugates DNA THERAPEUTICS 2015-07-22 CN disclosed
CN-103732746-A Treatment of cancer by combining DNA molecules that mimic double strand breaks with hyperthermia INST CURIE 2014-04-16 CN disclosed
WO-2013092674-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO 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-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-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-16 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 (3 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 MEN1 2796/4885KMT2A 2557/4885TSHR 1579/4885
US-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets ABAT, NAT1, AADAC MEN1 4712/4885KMT2A 3881/4885TSHR 2520/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA MEN1 3107/4885KMT2A 2462/4885TSHR 1502/4885

“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.