SCHEMBL7806891

SCHEMBL7806891

NCCCn1cc(-c2nc3ccccc3n(CCCN)c2=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 16/20 0.53
PIM1 P11309 1/20 0.50
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
RPS6KB1 P23443 1/20 0.46

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
Acetic Acid SCHEMBL7815041 0.89 CAMK2D (0.48) CAMK2DPIM1USP2ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL7815071 0.87 ALDH1A1 (0.49) CAMK2DPIM1USP2ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL7815291 0.85 CAMK2D (0.46) CAMK2DPIM1USP2ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL7817667 0.84 CAMK2D (0.44) CAMK2DPIM1
Acetic Acid SCHEMBL7815108 0.84 CAMK2D (0.51) CAMK2DPIM1ALDH1A1RPS6KB1
Trifluoroacetic Acid SCHEMBL7806936 0.84 CFTR (0.49) CAMK2DUSP2ALDH1A1CYP1A2
Acetic Acid SCHEMBL7814705 0.83 CAMK2D (0.44) CAMK2DPIM1USP2ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL7814735 0.83 PDE4B (0.44) CAMK2DPIM1USP2ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL8516338 0.81 ALDH1A1 (0.45) CAMK2DUSP2ALDH1A1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL7817211 0.81 MAPT (0.43) CAMK2DPIM1USP2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010025043-A1 New pharmaceutical active compounds ASTRA AKTIEBOLAG, A SWEDEN CORPORATION 2001-09-27 US claimed
US-6271231-B1 Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2001-08-07 US claimed
US-20010025043-A1 New pharmaceutical active compounds ASTRA AKTIEBOLAG, A SWEDEN CORPORATION 2001-09-27 US disclosed
US-6271231-B1 Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2001-08-07 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-20010025043-A1 New pharmaceutical active compounds CSNK1A1, CSNK1G1, CSNK2A1 CAMK2D 338/4885PIM1 815/4885USP2 4177/4885

“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.