SCHEMBL2011498

SCHEMBL2011498

Clc1ccc2c(I)c(Cl)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL3669666 0.87 BACE1 (0.37) CRHBPCRHR2
SCHEMBL22951353 0.80 IDO1 (0.38) KDM4ECYP3A4CYP2C19HIF1AIDO1
SCHEMBL3837662 0.75 ACHE (0.40) CRHBPCRHR2KDM4ECYP3A4CYP2C19
SCHEMBL3837501 0.75 CRHBP (0.39) CRHBPCRHR2KDM4ECYP3A4CYP2C19
SCHEMBL1294228 0.71 TDP1 (0.45) CRHBPCRHR2KDM4ECYP3A4CYP2C19
SCHEMBL1616369 0.71 MAOA (0.40) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL17311004 0.71 DPP4 (0.47) CRHBPCRHR2KDM4ELMNA
SCHEMBL492057 0.71 DPP4 (0.47) CRHBPCRHR2KDM4ELMNA
SCHEMBL29746469 0.70 CYP1A2 (0.46) CRHBPCRHR2CYP3A4MAOAMAOB
SCHEMBL239860 0.70 CYP1A2 (0.46) CRHBPCRHR2CYP3A4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139879-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2010-01-06 EP claimed
US-20080234319-A1 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2008-09-25 US claimed
WO-2008114002-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2008-09-25 WO claimed
EP-2139879-B1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
US-7964616-B2 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2011-06-21 US disclosed
EP-2139879-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2010-01-06 EP disclosed
US-20080234319-A1 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2008-09-25 US disclosed
WO-2008114002-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2008-09-25 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-20080234319-A1 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis CNKSR1, HRH4, HRH1 CRHBP 3258/4885CRHR2 1547/4885KDM4E 398/4885

“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.