SCHEMBL3180481

SCHEMBL3180481

COC(=O)c1ccccc1Nc1nc(-c2ccccc2)nc2c1cnn2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.52
PDE5A O76074 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
ABCC1 P33527 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
ALOX15 P16050 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GGPS1 O95749 2/20 0.43
SHMT2 P34897 2/20 0.43
ESYT2 A0FGR8 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
SCHEMBL3180748 0.90 PIK3CA (0.49) PIK3CAABCG2ABCC1KMT2AMAPT
SCHEMBL3174537 0.90 CDC25B (0.49) PIK3CAMAPTCYP1A2CYP2C19KDM4E
SCHEMBL3175599 0.77 PIK3CA (0.62) PIK3CAPDE5AABCG2ABCC1KMT2A
SCHEMBL3185882 0.77 KDM4C (0.47) ABCG2ABCC1KDM4EALDH1A1GGPS1
SCHEMBL3165086 0.76 GGPS1 (0.47) PIK3CAABCG2ABCC1GGPS1CDC7
SCHEMBL3174435 0.75 PIK3CA (0.60) PIK3CAPDE5AABCG2ABCC1KMT2A
SCHEMBL31194469 0.74 PDE5A (0.61) PIK3CAPDE5AABCG2KMT2AMAPT
SCHEMBL24532034 0.71 ABL1 (0.73) PIK3CAABCG2MAPTCYP1A2CYP2C19
SCHEMBL38655863 0.69 BCDIN3D (0.55) PDE5AKMT2ACYP1A2CYP2C19TP53
SCHEMBL15984833 0.69 KMT2A (0.45) PIK3CAKMT2AMAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 WO claimed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 US claimed
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 WO disclosed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 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-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PDE5A 1534/4885ABCG2 735/4885

“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.