SCHEMBL2808663

SCHEMBL2808663

CNc1nnc(-c2cc(OC)cc(OC)c2-c2nc3ncccn3c2-c2ccc(C)[c]c2C)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 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
SCHEMBL2814125 0.85 GAA (0.33) ALDH1A1MAPTKDM4ETP53ALOX15
SCHEMBL15911422 0.81 GAA (0.47) ALDH1A1MAPTKDM4ETP53ALOX15
SCHEMBL2810004 0.79 TUBB4A (0.41) ALDH1A1MAPTKDM4ETP53ALOX15
SCHEMBL2813894 0.77 GAA (0.39) ALDH1A1MAPTKDM4ETP53ALOX15
SCHEMBL2812088 0.76 TUBB4A (0.38) ALDH1A1MAPTKDM4ETP53ALOX15
SCHEMBL2809857 0.76 ALOX15 (0.36) ALDH1A1MAPTKDM4ETP53ALOX15
SCHEMBL15911712 0.72 GAA (0.52) ALDH1A1MAPTKDM4ETP53ALOX15
SCHEMBL2811959 0.71 TUBB4A (0.39) ALDH1A1MAPTKDM4ETP53ALOX15
SCHEMBL2810603 0.65 KDM4E (0.36) ALDH1A1MAPTKDM4ETP53ALOX15
SCHEMBL15911618 0.64 GAA (0.53) ALDH1A1MAPTTP53LMNATDP1

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
US-8278312-B2 Imidazo 1,2-a pyrimidine derivatives for the treatment of diseases such as diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-10-02 US claimed
US-20100249151-A1 IMIDAZO 1, 2-A PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS DIABETES Merck Patent Gesellschaft Beschrankter Haftung (DE) 2010-09-30 US claimed

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-20100249151-A1 IMIDAZO 1, 2-A PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS DIABETES TYMS, CCNT1, INSR ALDH1A1 1007/4885MAPT 3889/4885KDM4E 3197/4885

“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.