SCHEMBL4124425

SCHEMBL4124425

Cc1nnc(NC2CCNCC2)c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.46
PAK4 O96013 2/20 0.44
CYP1A2 P05177 5/20 0.41
CLK4 Q9HAZ1 4/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
CHEK2 O96017 1/20 0.40
HTR6 P50406 2/20 0.40
MCHR1 Q99705 1/20 0.40
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 1/20 0.39
IKBKB O14920 1/20 0.39
CHEK1 O14757 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4130101 0.82 CYP1A2 (0.50) SOS1CYP1A2CLK4HSD17B10LMNA
SCHEMBL12846335 0.75 MCHR1 (0.46) PAK4HTR6MCHR1BRD4ATAD2
SCHEMBL12526914 0.72 CYP1A2 (0.58) CYP1A2CLK4HSD17B10LMNACYP2C19
SCHEMBL14543072 0.72 CYP1A2 (0.67) CYP1A2CLK4HSD17B10LMNACYP2C19
SCHEMBL14542587 0.72 IKBKB (0.54) PAK4CYP1A2CLK4HSD17B10CHEK2
Hydrochloric Acid SCHEMBL1748116 0.71 CYP1A2 (0.57) CYP1A2CLK4HSD17B10LMNACYP2C19
SCHEMBL4588531 0.71 POLB (0.44) CYP1A2HSD17B10LMNAUSP2ALDH1A1
SCHEMBL4766266 0.69 MCHR1 (0.49) MCHR1ALDH1A1MEN1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL4128223 0.69 MCHR1 (0.49) MCHR1ALDH1A1MEN1CYP2D6KMT2A
SCHEMBL26350278 0.69 BRD4 (0.41) SOS1PAK4CYP1A2CLK4HSD17B10

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 3 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

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 SOS1 4110/4885PAK4 3314/4885CYP1A2 39/4885

“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.