SCHEMBL12307477

SCHEMBL12307477

CNC(=O)Nc1cc2n(n1)CCN2C(=O)Cc1cccc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GRM5 P41594 1/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ RIPK1 Q13546 1/20 0.40
▸ MGAT3 Q09327 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39

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
SCHEMBL12307455 0.83 MAPT (0.46) KMT2AGRM5MAPTALDH1A1RAB9A
SCHEMBL12307497 0.83 SIGMAR1 (0.50) SIGMAR1MEN1KMT2AGRM5KCNQ2
SCHEMBL12334300 0.81 GRM5 (0.39) MEN1KMT2AGRM5ALDH1A1RAB9A
SCHEMBL12307454 0.81 TP53 (0.40) KMT2AGRM5GAAPOLBRIPK1
SCHEMBL12307484 0.79 KMT2A (0.40) MEN1KMT2AGAAALDH1A1RAB9A
SCHEMBL12307452 0.79 NPC1 (0.40) GRM5POLBMAPTALDH1A1RAB9A
SCHEMBL12334707 0.78 NPC1 (0.39) MEN1KMT2AGRM5CASP3CASP7
SCHEMBL12307472 0.77 MAPT (0.40) MEN1KMT2APKMPOLBMAPT
SCHEMBL12307449 0.76 SMN1; SMN2 (0.35) GRM5
SCHEMBL12307456 0.74 SMN1; SMN2 (0.33) GRM5

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 SIGMAR1 4690/4885MEN1 1723/4885KMT2A 2170/4885

“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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