SCHEMBL753198

SCHEMBL753198

N#Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.64
RXRA P19793 2/20 0.53
NR1I2 O75469 1/20 0.47
NR4A2 P43354 1/20 0.47
PDE4D Q08499 1/20 0.47
ADORA1 P30542 5/20 0.46
ADORA2A P29274 5/20 0.46
HMGCR P04035 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ADORA2B P29275 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
GRM5 P41594 1/20 0.40
SRC P12931 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL27950491 0.80 PRKAA2 (0.68) PRKAA2RXRANR1I2NR4A2PDE4D
Methane SCHEMBL27947407 0.80 PRKAA2 (0.72) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL28803542 0.80 PRKAA2 (0.68) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL526202 0.80 PRKAA2 (0.68) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL14114892 0.80 PRKAA2 (0.68) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL27512912 0.80 PRKAA2 (0.68) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL5183647 0.80 RXRA (0.64) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL5183501 0.80 RXRA (0.64) PRKAA2RXRANR1I2NR4A2PDE4D
Bromide SCHEMBL3711240 0.79 PRKAA2 (0.67) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL6072090 0.79 ADORA2A (0.56) ADORA1ADORA2AKDM4EALDH1A1MEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361215-B1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2012-03-21 EP claimed
CN-1237053-C Process for producing quinoline carboxaldehyde derivative and intermediate thereof NISSAN CHEMICAL IND LTD (JP) 2006-01-18 CN claimed
US-6841681-B2 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-11 US claimed
US-20040077866-A1 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-22 US claimed
CN-1491215-A Process for producing quinoline carboxaldehyde derivative and intermediate thereof �ղ���ѧ��ҵ��ʽ���� 2004-04-21 CN claimed
EP-1361215-A1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF Nissan Chemical Industries, Ltd. (JP) 2003-11-12 EP claimed
EP-1361215-B1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2012-03-21 EP disclosed
EP-1361215-B1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2012-03-21 EP disclosed
EP-1361215-B1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2012-03-21 EP disclosed
CN-1237053-C Process for producing quinoline carboxaldehyde derivative and intermediate thereof NISSAN CHEMICAL IND LTD (JP) 2006-01-18 CN disclosed
CN-1237053-C Process for producing quinoline carboxaldehyde derivative and intermediate thereof NISSAN CHEMICAL IND LTD (JP) 2006-01-18 CN disclosed
US-6841681-B2 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-11 US disclosed
US-6841681-B2 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-11 US disclosed
US-20040077866-A1 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-22 US disclosed
CN-1491215-A Process for producing quinoline carboxaldehyde derivative and intermediate thereof �ղ���ѧ��ҵ��ʽ���� 2004-04-21 CN disclosed
CN-1491215-A Process for producing quinoline carboxaldehyde derivative and intermediate thereof �ղ���ѧ��ҵ��ʽ���� 2004-04-21 CN disclosed
EP-1361215-A4 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2004-03-17 EP disclosed
EP-1361215-A1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF Nissan Chemical Industries, Ltd. (JP) 2003-11-12 EP disclosed
EP-1361215-A1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF Nissan Chemical Industries, Ltd. (JP) 2003-11-12 EP disclosed
WO-2002064569-A1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF UBE INDUSTRIES, LTD. (JP) 2002-08-22 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-20040077866-A1 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof CPNE4, CYP3A4, CYP4B1 PRKAA2 2622/4885RXRA 4470/4885NR1I2 3259/4885

“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.