SCHEMBL6047154

SCHEMBL6047154

Cc1nc2c3c(cc(O)n2c1C)C(=O)C[C@H](c1ccccc1)N3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 2/20 0.41
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE3A Q14432 1/20 0.37
LDHA P00338 3/20 0.36
BRD4 O60885 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33

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
SCHEMBL5045178 0.79 CYP2C9 (0.52) CDK4CCND1CYP2C9CYP3A4PDE5A
SCHEMBL5040717 0.79 CYP2C9 (0.52) CDK4CCND1CYP2C9CYP3A4PDE5A
SCHEMBL6435217 0.75 CYP3A4 (0.38) CYP2C9CYP3A4PDE5APDE1APDE1B
SCHEMBL5988436 0.72 CYP3A4 (0.36) CYP2C9CYP3A4ALDH1A1TSHRCASP1
SCHEMBL5988563 0.70 CYP3A4 (0.35) CYP2C9CYP3A4HPGDALDH1A1MEN1
SCHEMBL6047152 0.70 CDK4 (0.39) CDK4CCND1CYP2C9CYP3A4LDHA
SCHEMBL5989153 0.69 CYP3A4 (0.34) CYP2C9CYP3A4ALDH1A1TSHR
SCHEMBL5840196 0.66 CYP3A4 (0.41) CYP2C9CYP3A4ALDH1A1
SCHEMBL5634281 0.65 CYP3A4 (0.41) CYP2C9CYP3A4BRD4ALDH1A1CYP1A2
SCHEMBL3726983 0.65 AR (0.43) CDK4CCND1LDHABRD4ALDH1A1

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
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

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 1757/4885CYP2C9 112/4885

“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.