SCHEMBL4125530

SCHEMBL4125530

CCc1nnc(NC2CCNCC2)c2cc(OC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR6 P50406 3/20 0.44
CHEK2 O96017 2/20 0.44
CHEK1 O14757 1/20 0.44
NSD2 O96028 3/20 0.41
HTR4 Q13639 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL4129671 0.90 CYP1A2 (0.47) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4130101 0.84 CYP1A2 (0.50) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4124298 0.82 NSD2 (0.44) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4122646 0.81 CYP1A2 (0.50) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4125139 0.81 CYP1A2 (0.47) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4124644 0.79 DNMT3A (0.61) NSD2KDM1AEHMT2RCOR1
SCHEMBL4134746 0.77 CYP1A2 (0.53) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL13850488 0.76 DNMT3A (0.49) NSD2KDM1AEHMT2RCOR1
SCHEMBL4834465 0.76 DNMT3A (0.53) KDM1AEHMT2RCOR1
SCHEMBL4130258 0.75 DNMT3A (0.48) NSD2EHMT2

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 4 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
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 CYP1A2 39/4885LMNA 2114/4885CYP3A4 338/4885

“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.