SCHEMBL1720568

SCHEMBL1720568

Cc1cc(C)cc(C(C)Nc2noc3nc(C)ccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.35
SOS1 Q07889 11/20 0.34
KRAS P01116 7/20 0.32
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
LMNA P02545 1/20 0.31
EGFR P00533 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1720959 0.84 SOS1 (0.39) SOS1KRASHDAC4HDAC1HDAC6
SCHEMBL1720526 0.80 EPHX2 (0.45) PLK1SOS1KRASHDAC4HDAC1
SCHEMBL1720789 0.72 EPHX2 (0.45) PLK1SOS1HDAC4HDAC1HDAC6
SCHEMBL1720360 0.72 EPHX2 (0.45) PLK1SOS1HDAC4HDAC1HDAC6
SCHEMBL1720565 0.69 EPHX2 (0.45) PLK1LMNAKDM4ETSHRHTT
SCHEMBL1721455 0.68 EPHX2 (0.54) PLK1SOS1KRASHDAC4HDAC1
SCHEMBL7926343 0.65 IDO1 (0.42) LMNAKDM4ETSHR
SCHEMBL17498394 0.62 IDO1 (0.66) KDM4ESMN1; SMN2
SCHEMBL2066656 0.62 KMT2A (0.40) HDAC6LMNAKDM4ESMN1; SMN2
SCHEMBL22439921 0.60 ALDH1A1 (0.47) LMNAKDM4ETSHRHTTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP claimed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO claimed
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 US claimed
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 PLK1 1747/4885SOS1 4113/4885KRAS 4184/4885

“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.