SCHEMBL3316266

SCHEMBL3316266

COc1cc(N2CCNC(C(=O)N(C)C)C2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ ACVR1 Q04771 4/20 0.37
▸ TGFBR1 P36897 2/20 0.37
▸ SUV39H2 Q9H5I1 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ ALK Q9UM73 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ USP28 Q96RU2 1/20 0.35
▸ USP25 Q9UHP3 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 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
SCHEMBL3314648 0.85 ALDH1A1 (0.56) MAPTRECQLALDH1A1LMNACCNE1
SCHEMBL7010873 0.74 CHRM4 (0.38) NOTUM
SCHEMBL2878951 0.74 NOTUM (0.44) SUV39H2NOTUM
SCHEMBL10154835 0.74 ADRB1 (0.57) ACVR1TGFBR1HTR7MAPTRECQL
SCHEMBL3315930 0.73 ALDH1A1 (0.58) MAPTRECQLALDH1A1LMNACCNE1
SCHEMBL13362089 0.73 MAPT (0.46) ALKMAPTALDH1A1LMNA
SCHEMBL13362082 0.72 KHK (0.53) ADRA1DADRA1AADRA1BALKALDH1A1
SCHEMBL14240636 0.72 NTSR1 (0.47) SUV39H2ALKALDH1A1DPP4
SCHEMBL520746 0.72 NTSR1 (0.47) SUV39H2ALKALDH1A1DPP4
SCHEMBL5406594 0.71 DPP4 (0.46) SUV39H2ALDH1A1DPP4CDK2

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 ADRA1D 1104/4885ADRA1A 1355/4885ADRA1B 449/4885

“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.

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