SCHEMBL12307528

SCHEMBL12307528

CNC(=O)Nc1cc2n(n1)CCN2c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 2/20 0.39
▸ P2RX7 Q99572 2/20 0.38
▸ GCK P35557 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RORC P51449 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
SCHEMBL12307550 0.85 GCK (0.36) GCKALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12307529 0.84 GAA (0.39) GCKALDH1A1MEN1RAB9AKMT2A
SCHEMBL12307398 0.83 GCK (0.40) GCKALDH1A1SMN1; SMN2MEN1RAB9A
SCHEMBL12307489 0.82 KMT2A (0.39) P2RX7ALDH1A1SMN1; SMN2MEN1RAB9A
SCHEMBL12307527 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9AKMT2AMALT1
SCHEMBL12307538 0.80 ADRA1A (0.35) GCKMEN1RAB9AKMT2AATM
SCHEMBL12307442 0.80 GRM5 (0.39) GCKALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL12307509 0.79 GRM5 (0.41) GCKALDH1A1MEN1KMT2A
SCHEMBL12307596 0.78 MAPK13 (0.38) GCKSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL12307566 0.77 GRM5 (0.35) GCKSMN1; SMN2

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 RBP4 3916/4885P2RX7 3294/4885GCK 1876/4885

“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.

Send feedback