SCHEMBL4068232

SCHEMBL4068232

COc1ccc2nccc(C3=CCNCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
CCNT1 O60563 14/20 0.43
CDK9 P50750 14/20 0.43
HTR6 P50406 3/20 0.41
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
BRCA1 P38398 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 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
SCHEMBL7010093 0.76 KDM4E (0.73) CYP1A2CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL12889425 0.71 KDM4E (0.54) CYP1A2CYP3A4KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL16423084 0.70 HTR2C (0.46) CYP1A2CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL1222623 0.70 NCF1 (0.57) MAPTCYP2C19HTR6HTR2CDRD2
SCHEMBL3115300 0.70 DYRK1A (0.48) MAPK1PIK3CA
SCHEMBL15884572 0.70 RAF1 (0.44) MEN1ALDH1A1MAPTKMT2APIK3CA
Hydrochloric Acid SCHEMBL4076052 0.69 CCNT1 (0.41) CCNT1CDK9PIK3CA
SCHEMBL4065093 0.69 CCNT1 (0.41) CCNT1CDK9PIK3CA
SCHEMBL23411233 0.69 QDPR (0.52) HTR2CPIK3CAMTOR
SCHEMBL31150129 0.69 QDPR (0.52) HTR2CPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG CYP1A2 1489/4885CYP3A4 873/4885KDM4E 4544/4885

“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.