SCHEMBL12307709

SCHEMBL12307709

CC(=O)Nc1cc2n(n1)CCN2c1ccc2cnccc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.40
▸ IMPDH2 P12268 4/20 0.38
▸ PRMT3 O60678 7/20 0.37
▸ DDX3X O00571 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ WNT1 P04628 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35

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
SCHEMBL12307610 0.89 PRMT3 (0.40) PHGDHIMPDH2PRMT3DDX3XCYP19A1
SCHEMBL12307717 0.81 POLB (0.43) IMPDH2PRMT3
SCHEMBL12307753 0.78 CYP19A1 (0.43) PHGDHPRMT3CYP19A1DYRK1ACYP1A2
SCHEMBL12307565 0.78 MAPT (0.49) MAPK8
SCHEMBL12307618 0.77 KMT2A (0.45) MAPK8
SCHEMBL12307564 0.76 ADORA1 (0.47) —
SCHEMBL12307596 0.76 MAPK13 (0.38) PHGDHMAPK8MAPK9MAPK10CYP1A2
SCHEMBL12307708 0.74 BAZ2B (0.42) MAPK8CYP1A2
SCHEMBL12307756 0.74 OGA (0.40) GSK3B
SCHEMBL12307718 0.73 GSK3B (0.43) GSK3B

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 PHGDH 1943/4885IMPDH2 1165/4885PRMT3 1580/4885

“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