SCHEMBL1171801

SCHEMBL1171801

COc1ccc(C2(N)N=C(N)C=CN2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
CTSD P07339 2/20 0.37
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
CYP19A1 P11511 2/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL1171716 0.84 MAPT (0.37) KDM4EALDH1A1CYP19A1MAPTHPGD
SCHEMBL1172236 0.81 KMT2A (0.44) KDM4EALDH1A1MAPTHPGD
SCHEMBL1172089 0.80 BACE1 (0.39) MAOAKDM4EALDH1A1BACE1BACE2
SCHEMBL1172013 0.78 BACE1 (0.42) ALDH1A1CTSDBACE1BACE2
SCHEMBL1172247 0.77 ALDH1A1 (0.41) ALDH1A1LMNACYP19A1MAPTCA12
SCHEMBL4463677 0.77 ALDH1A1 (0.42) KDM4EALDH1A1LMNABACE1MAPT
SCHEMBL1171878 0.77 ALDH1A1 (0.35) ALDH1A1CYP19A1HSD17B10MAPTHPGD
SCHEMBL1171998 0.75 CYP19A1 (0.35) KDM4EALDH1A1LMNACYP19A1HSD17B10
SCHEMBL1171920 0.75 SMN1; SMN2 (0.43) KDM4EALDH1A1LMNATSHRCA1
SCHEMBL1171769 0.74 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTHPGDCA12

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
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
EP-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 WO 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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 MAOA 2029/4885KDM4E 2176/4885ALDH1A1 617/4885

“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.