SCHEMBL60444

SCHEMBL60444

Cc1nc(-c2cccc(O)c2)nc2c1cnn2-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.66
MTOR P42345 3/20 0.66
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 2/20 0.49
GRM1 Q13255 1/20 0.48
THRB P10828 1/20 0.47
PTGS2 P35354 2/20 0.45
DPP4 P27487 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL56124 0.85 PIK3CA (0.62) PIK3CAMTORKDM4EMAPTALDH1A1
SCHEMBL4176560 0.80 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL3991195 0.78 PIK3CA (0.61) PIK3CAMTOR
SCHEMBL4991670 0.78 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL3986335 0.78 PIK3CA (0.59) PIK3CAMTORALDH1A1RAB9ANPC1
SCHEMBL55880 0.76 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL56413 0.76 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL61630 0.75 TSHR (0.51) PIK3CAMTORKDM4EMAPTALDH1A1
SCHEMBL3984045 0.75 MTOR (0.61) PIK3CAMTOR
SCHEMBL3984055 0.75 MTOR (0.61) PIK3CAMTOR

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-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885KDM4E 1987/4885

“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.