SCHEMBL1171998

SCHEMBL1171998

COc1ccc(C2(N)N=C(N)C=CN2)c(OC)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31
TUBB8 Q3ZCM7 2/20 0.31
TUBA3E Q6PEY2 2/20 0.31
TUBA1A Q71U36 2/20 0.31
TUBA1C Q9BQE3 2/20 0.31
TUBB6 Q9BUF5 2/20 0.31
TUBB2B Q9BVA1 2/20 0.31
TUBB1 Q9H4B7 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
AOC3 Q16853 1/20 0.31
ADRA2A P08913 1/20 0.30

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
SCHEMBL4468713 0.79 HTT (0.39) KDM4EMEN1ALDH1A1MAPTHTT
SCHEMBL4463677 0.79 ALDH1A1 (0.42) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL1171769 0.79 ALDH1A1 (0.41) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1171670 0.78 AGPAT2 (0.38) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL1171876 0.78 HTR1A (0.34)
SCHEMBL1171716 0.77 MAPT (0.37) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27789380 0.75 CYP19A1 (0.39) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1171920 0.74 SMN1; SMN2 (0.43) KDM4EALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL1171710 0.69 HSP90AA1 (0.37) MAPTSMN1; SMN2NPSR1
SCHEMBL4458379 0.68 CYP3A4 (0.35) SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 CYP19A1 2086/4885TUBB4A 154/4885TUBB 434/4885

“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.