SCHEMBL12307668

SCHEMBL12307668

CS(=O)(=O)Nc1ccc(CC(=O)Nc2cc3n(n2)CCN3c2cccc(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 2/20 0.42
▸ RORC P51449 2/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ CTPS1 P17812 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ P2RX4 Q99571 2/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39

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 0.84 KCNQ2 (0.54) KCNQ2CACNA1GCACNA1HCACNA1CCACNA1I
SCHEMBL12307674 0.80 KCNQ2 (0.49) KCNQ2CACNA1GCACNA1HCACNA1CCACNA1I
SCHEMBL12307660 0.78 CACNA1G (0.40) KCNQ2CACNA1GCACNA1HCACNA1CCACNA1I
SCHEMBL12307618 0.77 KMT2A (0.45) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL12307675 0.76 HTR1A (0.40) KCNQ2CACNA1GCACNA1HCACNA1CCACNA1I
SCHEMBL12307669 0.75 POLB (0.39) CACNA1GMEN1MAPTKMT2AALDH1A1
SCHEMBL12307659 0.75 ALDH1A1 (0.37) CACNA1GMAPTKMT2AALDH1A1
SCHEMBL12307489 0.75 KMT2A (0.39) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL12307667 0.74 ALDH1A1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL12307647 0.73 USP2 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2TSHR

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 KCNQ2 4381/4885RORC 129/4885ADRB1 3050/4885

“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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