SCHEMBL4129902

SCHEMBL4129902

COc1ccc2cnnc(NC3CCN(Cc4ccccc4)CC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 3/20 0.65
NSD2 O96028 7/20 0.57
EHMT2 Q96KQ7 8/20 0.55
KDM1A O60341 1/20 0.55
RCOR1 Q9UKL0 1/20 0.55
MCHR1 Q99705 1/20 0.54
EZH2 Q15910 1/20 0.53
NSD3 Q9BZ95 1/20 0.53
EHMT1 Q9H9B1 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL4841974 0.92 MCHR1 (0.57) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4724839 0.86 MCHR1 (0.51) DNMT3ANSD2EHMT2KDM1ARCOR1
SCHEMBL5307466 0.86 DNMT3A (0.62) DNMT3ANSD2EHMT2KDM1ARCOR1
Hydrochloric Acid SCHEMBL4117742 0.85 MCHR1 (0.51) DNMT3ANSD2EHMT2KDM1ARCOR1
SCHEMBL4843291 0.85 NSD2 (0.59) DNMT3ANSD2EHMT2KDM1ARCOR1
SCHEMBL4130246 0.84 DNMT3A (0.62) DNMT3ANSD2EHMT2KDM1ARCOR1
SCHEMBL4124644 0.82 DNMT3A (0.61) DNMT3ANSD2EHMT2KDM1ARCOR1
SCHEMBL4124605 0.81 DNMT3A (0.60) DNMT3ANSD2EHMT2KDM1ARCOR1
SCHEMBL4116963 0.81 DNMT3A (0.60) DNMT3ANSD2EHMT2KDM1ARCOR1
SCHEMBL21486538 0.81 DNMT3A (0.74) DNMT3ANSD2EHMT2KDM1ARCOR1

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
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
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 DNMT3A 3277/4885NSD2 1088/4885EHMT2 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.