SCHEMBL6047152

SCHEMBL6047152

O=C1CC(c2ccccc2)Nc2c1ccn1cc(O)nc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
LDHA P00338 3/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NOS1 P29475 3/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
LDHB P07195 1/20 0.33
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PSMB5 P28074 1/20 0.32
HDAC4 P56524 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
SCHEMBL5040717 0.74 CYP2C9 (0.52) CDK4CCND1LDHACYP3A4CYP2C9
SCHEMBL5045178 0.74 CYP2C9 (0.52) CDK4CCND1LDHACYP3A4CYP2C9
SCHEMBL6047154 0.70 CDK4 (0.41) CDK4CCND1LDHACYP3A4CYP2C9
Aza-Flavanone SCHEMBL1501991 0.64 MAPT (0.56) BRD4ALDH1A1LMNAMAPTCYP19A1
SCHEMBL6023774 0.63 CYP3A4 (0.43) CYP3A4CYP2C9NOS1
SCHEMBL3726983 0.61 AR (0.43) CDK4CCND1LDHABRD4ALDH1A1
SCHEMBL157619 0.61 BRD4 (0.50) LDHABRD4ALDH1A1LMNAMAPT
SCHEMBL6247618 0.61 BRD4 (0.50) LDHABRD4ALDH1A1LMNAMAPT
SCHEMBL9295153 0.61 BRD4 (0.50) LDHABRD4ALDH1A1LMNAMAPT
SCHEMBL6172172 0.60 BRD4 (0.44) LDHABRD4ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105676-B2 Tetrahydropyridoethers ALTANA PHARMA AG (DE) 2006-09-12 US disclosed
US-20040162310-A1 Tetrahydropyridoethers ALTANA PHARMA AG. 2004-08-19 US disclosed
US-6436953-B1 ANTISECRETORY AGENTS, GASTROINTESTINAL INFLAMMATORY DISEASES; (7R,8R,9R)-2,3-DIMETHYL-8-HYDROXY-7-METHOXY-9-PHENYL-7,8,9,10-TETRAHYDRO -IMIDAZO(1,2-H)-(1,7)NAPHTHYRIDINE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-08-20 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-20040162310-A1 Tetrahydropyridoethers CYP7A1, CYP2E1, TPMT CDK4 599/4885CCND1 1757/4885LDHA 3477/4885

“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.