SCHEMBL12307665

SCHEMBL12307665

O=C(Nc1cc2n(n1)CCN2c1cccc(Cl)c1)c1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C4 P17516 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ GRM5 P41594 2/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ USP36 Q9P275 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ KCNMA1 Q12791 1/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KCNQ3 O43525 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
SCHEMBL12307644 0.90 KDM4E (0.48) GRM5NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL12307672 0.89 GRM5 (0.44) GRM5NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL12307664 0.85 ADORA2A (0.53) GRM5NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12307618 0.82 KMT2A (0.45) NPC1RAB9ATSHRSMN1; SMN2KMT2A
SCHEMBL12307559 0.81 SMN1; SMN2 (0.45) GRM5NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12307928 0.80 ROCK2 (0.36) AKR1C4AKR1C3AKR1C2AKR1C1GRM5
SCHEMBL12307489 0.80 KMT2A (0.39) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12307671 0.79 ALOX15 (0.46) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12307660 0.79 CACNA1G (0.40) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL12307530 0.79 MEN1 (0.34) SMN1; SMN2KMT2AMEN1ALDH1A1

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 AKR1C4 1399/4885AKR1C3 939/4885AKR1C2 921/4885

“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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