SCHEMBL6284583

SCHEMBL6284583

NCC(O)C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 4/20 0.53
MMP8 P22894 2/20 0.53
EGFR P00533 1/20 0.50
BACE1 P56817 1/20 0.49
BACE2 Q9Y5Z0 1/20 0.49
MME P08473 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48

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
SCHEMBL16964256 0.86 CYP1A2 (0.53) CYP2D6CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL8411454 0.84 KMT2A (0.54) CYP2D6CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL8411451 0.84 KMT2A (0.54) CYP2D6CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL8412726 0.84 KMT2A (0.54) CYP2D6CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL5606084 0.83 CYP1A2 (0.50) CYP2D6CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL5693588 0.83 CYP1A2 (0.50) CYP2D6CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL16964255 0.83 ALDH1A1 (0.55) CYP2D6CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL17548796 0.82 KMT2A (0.57) KMT2AMMP8MMEGAAALDH1A1
SCHEMBL9276848 0.82 KMT2A (0.57) KMT2AMMP8MMEGAAALDH1A1
SCHEMBL20407732 0.82 KMT2A (0.57) KMT2AMMP8MMEGAAALDH1A1

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 CYP2D6 2832/4885CYP1A2 2482/4885CYP2C9 2095/4885

“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.