SCHEMBL12307639

SCHEMBL12307639

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ PTPN11 Q06124 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL12334420 0.90 ITGB3 (0.40) KMT2AMAPTPKMALDH1A1LMNA
SCHEMBL12307643 0.86 KMT2A (0.42) KMT2AMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL12307635 0.86 KMT2A (0.40) KMT2AMAPTPKMALDH1A1KDM4E
SCHEMBL12307669 0.84 POLB (0.39) KMT2AMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL12307660 0.84 CACNA1G (0.40) KMT2AMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL12307634 0.83 KMT2A (0.52) KMT2AMAPTPKMALDH1A1LMNA
SCHEMBL12307489 0.82 KMT2A (0.39) KMT2AMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL12307560 0.80 ITGB3 (0.39) KMT2AMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL12307618 0.80 KMT2A (0.45) KMT2AMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL12307644 0.79 KDM4E (0.48) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E

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 2170/4885MAPT 4347/4885PKM 1438/4885

“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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