SCHEMBL3312558

SCHEMBL3312558

COc1cc(N2CCN(CCO)[C@H](C)C2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.40
ADORA1 P30542 8/20 0.40
KCNH2 Q12809 7/20 0.40
DPP4 P27487 3/20 0.38
HTR4 Q13639 4/20 0.38
CHEK1 O14757 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR1D P28221 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
CCR1 P32246 2/20 0.36
ALDH1A1 P00352 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL13362115 1.00 ADORA2A (0.40) ADORA2AADORA1KCNH2DPP4HTR4
SCHEMBL3312565 1.00 ADORA2A (0.40) ADORA2AADORA1KCNH2DPP4HTR4
SCHEMBL13849432 0.88 MAP3K12 (0.40) ADORA2AADORA1KCNH2DPP4CHEK1
SCHEMBL12862128 0.87 DPP4 (0.40) ADORA2AADORA1KCNH2DPP4CHEK1
SCHEMBL3349380 0.82 ALDH1A1 (0.40) ADORA2AADORA1KCNH2DPP4HTR4
SCHEMBL15994653 0.82 CHEK1 (0.44) DPP4CHEK1ADRA2CALDH1A1
SCHEMBL3310202 0.81 SIRT6 (0.61) ALDH1A1
SCHEMBL3310207 0.81 SIRT6 (0.61) ALDH1A1
SCHEMBL2234370 0.80 GAA (0.47) KCNH2HTR4ADORA2B
SCHEMBL21117925 0.80 C1S (0.46) DPP4ALDH1A1

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
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 ADORA2A 184/4885ADORA1 297/4885KCNH2 3082/4885

“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.