SCHEMBL4764019

SCHEMBL4764019

COCc1nnc(NC2CCN(Cc3cccc(OCCO)c3)CC2)c2cc(OC)ccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.49
MCHR1 Q99705 1/20 0.49
EHMT2 Q96KQ7 1/20 0.48
ROCK1 Q13464 2/20 0.47
DNMT3A Q9Y6K1 2/20 0.46
JAK1 P23458 5/20 0.45
JAK3 P52333 3/20 0.45
JAK2 O60674 2/20 0.45
TYK2 P29597 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD4 P21917 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
Hydrochloric Acid SCHEMBL4133592 0.99 ROCK2 (0.49) ROCK2MCHR1EHMT2ROCK1DNMT3A
SCHEMBL4767176 0.96 MCHR1 (0.48) ROCK2MCHR1EHMT2ROCK1DNMT3A
Hydrochloric Acid SCHEMBL4128347 0.95 MCHR1 (0.47) ROCK2MCHR1EHMT2ROCK1DNMT3A
SCHEMBL4724035 0.92 DNMT3A (0.47) MCHR1EHMT2DNMT3AJAK1JAK3
Hydrochloric Acid SCHEMBL4122777 0.91 DNMT3A (0.46) MCHR1EHMT2DNMT3AJAK1JAK3
SCHEMBL4763058 0.88 ROCK2 (0.50) ROCK2MCHR1EHMT2ROCK1DNMT3A
SCHEMBL4722646 0.88 DNMT3A (0.46) MCHR1EHMT2DNMT3AMEN1KMT2A
Hydrochloric Acid SCHEMBL4125282 0.87 ROCK2 (0.49) ROCK2MCHR1EHMT2ROCK1DNMT3A
Hydrochloric Acid SCHEMBL4122709 0.87 DNMT3A (0.46) MCHR1EHMT2DNMT3AMEN1KMT2A
SCHEMBL4116963 0.86 DNMT3A (0.60) MCHR1EHMT2DNMT3AMEN1KMT2A

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
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP claimed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO claimed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR ROCK2 2748/4885MCHR1 138/4885EHMT2 993/4885

“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.