SCHEMBL12307489

SCHEMBL12307489

CNC(=O)Nc1cc2n(n1)CCN2c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ XIAP P98170 1/20 0.38
▸ BIRC2 Q13490 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ PANK3 Q9H999 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL12307530 0.89 MEN1 (0.34) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL12334409 0.89 SMN1; SMN2 (0.37) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL12307527 0.89 ALDH1A1 (0.42) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL12307398 0.89 GCK (0.40) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL12307618 0.88 KMT2A (0.45) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL12307586 0.87 KMT2A (0.40) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL12307484 0.87 KMT2A (0.40) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL12307511 0.87 ALDH1A1 (0.43) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL12307611 0.86 DRD2 (0.37) —
SCHEMBL12307634 0.86 KMT2A (0.52) KMT2AMAPTMEN1RAB9ANPC1

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 4347/4885MEN1 1723/4885

“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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