SCHEMBL12307443

SCHEMBL12307443

CNC(=O)Nc1cc2n(n1)CCN2C(=O)Cc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNJ5 P48544 2/20 0.37
▸ KCNJ3 P48549 2/20 0.37
▸ KCNQ2 O43526 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ EIF2AK3 Q9NZJ5 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KCNJ6 P48051 1/20 0.34

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
SCHEMBL12334707 0.88 NPC1 (0.39) KMT2AEIF2AK3GRM5NPC1
SCHEMBL12307454 0.83 TP53 (0.40) ALDH1A1KMT2APOLBGRM5
SCHEMBL12307442 0.82 GRM5 (0.39) KDM4EALDH1A1KMT2AGRM5NPC1
SCHEMBL12334300 0.80 GRM5 (0.39) KDM4EALDH1A1KMT2AGRM5NPC1
SCHEMBL12307472 0.79 MAPT (0.40) KDM4EALDH1A1KMT2APOLBRAB9A
SCHEMBL12307452 0.79 NPC1 (0.40) MAPK1ALDH1A1POLBGRM5NPC1
SCHEMBL12307449 0.79 SMN1; SMN2 (0.35) GRM5
SCHEMBL12307528 0.77 RBP4 (0.39) ALDH1A1KMT2ARAB9A
SCHEMBL12307477 0.77 SIGMAR1 (0.44) ALDH1A1KMT2AKCNQ2POLBGRM5
SCHEMBL12307456 0.77 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
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 MAPK1 122/4885KDM4E 1658/4885ALDH1A1 3559/4885

“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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