SCHEMBL3312302

SCHEMBL3312302

COc1cc(N(C)CCN(C)C(=O)CO)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
HTT P42858 2/20 0.36
CHEK1 O14757 3/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CDK8 P49336 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3720237 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL3311685 0.80 LMNA (0.41) ALDH1A1TDP1CHEK1LMNAL3MBTL1
SCHEMBL16003394 0.80 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL30378305 0.80 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL3311194 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL13362035 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL30682408 0.76 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL22954599 0.75 MTNR1A (0.43) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL23428444 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL31049787 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHSD17B10TDP1

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885CYP3A4 49/4885TSHR 3512/4885

“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.