SCHEMBL12307634

SCHEMBL12307634

O=C(Nc1ccccc1)Nc1cc2n(n1)CCN2c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.52
▸ MEN1 O00255 7/20 0.52
▸ MAPT P10636 5/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ KCNJ6 P48051 4/20 0.47
▸ KCNJ3 P48549 4/20 0.47
▸ KCNJ5 P48544 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ PKM P14618 2/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL12307557 0.92 TSHR (0.45) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL12334181 0.89 MAPK13 (0.51) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL12307489 0.86 KMT2A (0.39) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL12307644 0.85 KDM4E (0.48) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL12307618 0.83 KMT2A (0.45) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL12307660 0.83 CACNA1G (0.40) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL12307639 0.83 KMT2A (0.44) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL12307672 0.80 GRM5 (0.44) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL12307615 0.80 PTGER1 (0.48) KMT2AMEN1MAPTLMNAHTT
SCHEMBL12307398 0.80 GCK (0.40) KMT2AMEN1MAPTRAB9AHTT

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 1 patent. 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

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 KMT2A 2170/4885MEN1 1723/4885MAPT 4347/4885

“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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