SCHEMBL12307529

SCHEMBL12307529

CNC(=O)Nc1cc2n(n1)CCN2c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NR3C2 P08235 1/20 0.37
▸ GCK P35557 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ GFER P55789 1/20 0.36

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
SCHEMBL12307528 0.84 RBP4 (0.39) ALDH1A1KMT2ARAB9ANR3C2GCK
SCHEMBL12307550 0.83 GCK (0.36) GAAALDH1A1KMT2AMAPTGCK
SCHEMBL12307398 0.81 GCK (0.40) ALDH1A1KMT2AMAPTRAB9AGCK
SCHEMBL12307453 0.81 ALDH1A1 (0.46) GAAALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL12307538 0.80 ADRA1A (0.35) KMT2ARAB9AGCKHTR1AHTR7
SCHEMBL12307484 0.80 KMT2A (0.40) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12307588 0.80 GCK (0.38) GCK
SCHEMBL12307539 0.80 MEN1 (0.42) GAAALDH1A1CYP2C9KMT2AMAPT
SCHEMBL12307568 0.79 TP53 (0.38) GAAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL12307572 0.79 ALDH1A1 (0.39) GAAALDH1A1MAPTGFER

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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — US disclosed
US-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — US disclosed
EP-2327704-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY Shionogi&Co., Ltd. (JP) 2011-06-01 — — EP 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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R5, PIK3R4, PIK3R1 GAA 2338/4885ALDH1A1 3559/4885CYP1A2 2403/4885

“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.

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