SCHEMBL12307674

SCHEMBL12307674

COc1cccc(CC(=O)Nc2cc3n(n2)CCN3c2cccc(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CCNA1 P78396 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CSNK1D P48730 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45
▸ CACNA1I Q9P0X4 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ P2RY14 Q15391 1/20 0.44

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
SCHEMBL12307663 0.90 KCNQ2 (0.54) KCNQ2CDK2MEN1KMT2ACSNK1D
SCHEMBL12307664 0.83 ADORA2A (0.53) KCNQ2CCNA2CDK2CCNA1MEN1
SCHEMBL12307564 0.82 ADORA1 (0.47) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL12307755 0.81 EGFR (0.50) KMT2ATSHRCACNA1GKCNH2POLB
SCHEMBL12307703 0.80 ADORA2A (0.46) ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL12307484 0.80 KMT2A (0.40) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL12307668 0.80 KCNQ2 (0.42) KCNQ2MEN1KMT2AALDH1A1TSHR
SCHEMBL12307660 0.80 CACNA1G (0.40) KCNQ2MEN1KMT2AALDH1A1TSHR
SCHEMBL12307618 0.78 KMT2A (0.45) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL12307744 0.78 EGFR (0.43) GAAKMT2AALDH1A1CACNA1GKCNH2

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 3 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
EP-2327704-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY Shionogi&Co., Ltd. (JP) 2011-06-01 — — EP 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 KCNQ2 4381/4885GAA 2338/4885CCNA2 2341/4885

“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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