SCHEMBL12307774

SCHEMBL12307774

CNC(=O)Nc1cc2n(n1)CCN2c1ccc2c(c1)CCN(C)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.37
▸ AOC3 Q16853 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ CREBBP Q92793 1/20 0.32
▸ CYP11B1 P15538 4/20 0.32
▸ CYP11B2 P19099 4/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.31

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
SCHEMBL12307713 0.90 GRM5 (0.38) GRM5AOC3MEN1KMT2ACCNT1
SCHEMBL12307828 0.89 GRM5 (0.41) GRM5MEN1KMT2AOPRD1SMN1; SMN2
SCHEMBL12307613 0.88 CASP1 (0.34) KCNH2HRH3CREBBPCYP11B1CYP11B2
SCHEMBL12308000 0.88 GRM5 (0.36) GRM5AOC3MEN1KMT2ACCNT1
SCHEMBL12308024 0.87 GRM5 (0.36) GRM5AOC3MEN1KMT2ACCNT1
SCHEMBL12307829 0.87 KCNH2 (0.37) GRM5KCNH2HRH3CYP11B1CYP11B2
SCHEMBL12307919 0.86 S1PR2 (0.36) GRM5AOC3MEN1KMT2ACCNT1
SCHEMBL12334429 0.86 KCNH2 (0.33) GRM5AOC3MEN1KMT2ACCNT1
SCHEMBL12307830 0.86 GRM5 (0.33) GRM5AOC3MEN1KMT2ACCNT1
SCHEMBL12308021 0.86 ITGB3 (0.35) GRM5AOC3MEN1KMT2ACCNT1

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-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

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 GRM5 1849/4885AOC3 4051/4885MEN1 1723/4885

“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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