SCHEMBL4820896

SCHEMBL4820896

CCc1ccc2c(N)cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
PTBP1 P26599 1/20 0.46
RCE1 Q9Y256 1/20 0.46
NCF1 P14598 3/20 0.42
HSD17B10 Q99714 5/20 0.41
MEN1 O00255 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL17179176 0.78 PDE3B (0.41) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL29923487 0.78 BACE1 (0.55) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL24695125 0.78 BACE1 (0.55) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL9709703 0.78 NCF1 (0.59) HTR3AALDH1A1HPGDKDM4EPOLB
SCHEMBL13668629 0.78 PDE10A (0.47) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL24204631 0.76 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL17179433 0.76 KDM4E (0.40) ALDH1A1HPGDKDM4EPOLBGAA
SCHEMBL20047483 0.75 ELANE (0.36) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL24204564 0.75 MCHR1 (0.32) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL18905189 0.75 ELANE (0.41) ALDH1A1HPGDKDM4EGLALMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
US-7238228-B2 Magenta metal chelate dyes and their use in ink-jet printers FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-07-03 US disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20060180050-A1 Magenta metal chelate dyes and their use in ink-jet printers FUJIFILM IMAGING COLORANTS LIMITED (GB) 2006-08-17 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
WO-2004087814-A1 MAGENTA METAL CHELATE DYES AND THEIR USE IN INK-JET PRINTERS AVECIA INKJET LIMITED (GB) 2004-10-14 WO disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 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 (3 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-20060180050-A1 Magenta metal chelate dyes and their use in ink-jet printers IK, MARK1, IDH1 HTR3A 4376/4885ALDH1A1 244/4885HPGD 1592/4885
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 HTR3A 2704/4885ALDH1A1 1538/4885HPGD 326/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 HTR3A 2704/4885ALDH1A1 1538/4885HPGD 326/4885

“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.