SCHEMBL6285851

SCHEMBL6285851

CCOC(OCC)c1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP19A1 P11511 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NISCH Q9Y2I1 2/20 0.53
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MTOR P42345 1/20 0.47
ADK P55263 1/20 0.47
SMPD3 Q9NY59 1/20 0.42
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL3407136 0.77 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1288544 0.76 NISCH (0.63) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL722191 0.75 NISCH (0.78) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL955339 0.74 FPR2 (0.38) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
Methyl Alcohol SCHEMBL10336733 0.73 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL862114 0.73 NISCH (0.75) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL6394314 0.73 PTGS2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15587042 0.73 NISCH (0.63) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL4723390 0.71 CYP2D6 (1.00) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL4723343 0.71 CYP1A2 (0.88) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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-6974870-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHAMACEUTICALS, INC. (US) 2005-12-13 US disclosed
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-16 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-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKB, CHUK CYP1A2 2482/4885CYP3A4 3219/4885CYP2D6 2832/4885

“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.