SCHEMBL4724381

SCHEMBL4724381

COCc1nnc(NC2CCN(Cc3ccc(N4CC[C@@H](N(C)C)C4)cc3)CC2)c2cc(OC)ccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 5/20 0.51
EHMT2 Q96KQ7 7/20 0.48
MCHR1 Q99705 4/20 0.41
PDE1B Q01064 1/20 0.41
CHRM1 P11229 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
NSD2 O96028 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4766829 1.00 DNMT3A (0.51) DNMT3AEHMT2MCHR1PDE1BCHRM1
Hydrochloric Acid SCHEMBL4124628 0.99 DNMT3A (0.50) DNMT3AEHMT2MCHR1PDE1BCHRM1
Hydrochloric Acid SCHEMBL4116576 0.99 DNMT3A (0.50) DNMT3AEHMT2MCHR1PDE1BCHRM1
SCHEMBL4722724 0.89 DNMT3A (0.52) DNMT3AEHMT2MCHR1MEN1KMT2A
SCHEMBL4767693 0.89 DNMT3A (0.52) DNMT3AEHMT2MCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4117292 0.88 DNMT3A (0.51) DNMT3AEHMT2MCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4125413 0.88 DNMT3A (0.51) DNMT3AEHMT2MCHR1MEN1KMT2A
SCHEMBL13850463 0.88 DNMT3A (0.56) DNMT3AEHMT2MCHR1MEN1KMT2A
SCHEMBL4765739 0.87 DNMT3A (0.55) DNMT3AEHMT2MCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4116749 0.86 DNMT3A (0.55) DNMT3AEHMT2MCHR1MEN1KMT2A

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 6 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

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 DNMT3A 3277/4885EHMT2 993/4885MCHR1 138/4885

“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.