SCHEMBL2174254

SCHEMBL2174254

CCOc1ccc2c(Cl)ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.47
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
THRB P10828 2/20 0.43
POLB P06746 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
NQO1 P15559 1/20 0.42
MEN1 O00255 1/20 0.41
TERT O14746 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 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
SCHEMBL31167356 0.87 SMYD3 (0.46) GRM4KMT2ASMN1; SMN2HTR1AADRA1D
SCHEMBL16134905 0.87 SMYD3 (0.46) GRM4KMT2ASMN1; SMN2HTR1AADRA1D
Benzene SCHEMBL27969045 0.84 SMYD3 (0.47) GRM4KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL29362202 0.83 HTR1A (0.58) GRM4HTR1AADRA1DADRA1AADRA1B
SCHEMBL201122 0.83 HTR1A (0.58) GRM4HTR1AADRA1DADRA1AADRA1B
SCHEMBL1894839 0.83 GRM4 (0.50) GRM4HTR1AADRA1DADRA1AADRA1B
SCHEMBL27969052 0.83 MAOA (0.48) KMT2AMAPTALDH1A1SMN1; SMN2HTR1A
SCHEMBL27007092 0.82 TGFBR1 (0.43) GRM4HTR1AADRA1DADRA1AADRA1B
SCHEMBL27006910 0.81 KDM4E (0.52) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL5237941 0.81 GRM4 (0.48) GRM4KMT2AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
CN-101437811-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 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-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 GRM4 4159/4885KMT2A 1159/4885MAPT 2696/4885

“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.