SCHEMBL3731437

SCHEMBL3731437

COc1cc2[nH]cnc2nc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.43
▸ SRC P12931 1/20 0.41
▸ MMP12 P39900 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ QPCT Q16769 3/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ AXL P30530 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ BRAF P15056 3/20 0.36
▸ LCK P06239 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL25349620 0.81 PDPK1 (0.42) PDPK1SRCMMP12ALDH1A1KDM4E
SCHEMBL30640951 0.74 PARP1 (0.41) PDPK1ALDH1A1KDM4EQPCT
SCHEMBL30640970 0.74 GAA (0.40) PDPK1ALDH1A1KDM4EQPCTBRD4
SCHEMBL17265808 0.71 ALDH1A1 (0.52) PDPK1ALDH1A1KDM4EMAPT
SCHEMBL953077 0.69 MMP12 (0.56) SRCMMP12ALDH1A1KDM4EQPCT
SCHEMBL29871685 0.68 MAPT (0.51) MMP12ALDH1A1KDM4EQPCTQPCTL
SCHEMBL2989440 0.68 TLR8 (0.42) MMP12QPCTQPCTLBRD4KMT2A
SCHEMBL3742553 0.67 SIRT2 (0.43) PDPK1MMP12ALDH1A1KDM4EKMT2A
SCHEMBL914432 0.67 MMP12 (0.53) PDPK1MMP12ALDH1A1KDM4EQPCT
SCHEMBL29424826 0.67 SIRT2 (0.43) PDPK1MMP12ALDH1A1KDM4EKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 — — US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 — — US disclosed
EP-2017277-A1 Thiophene-imidazopyridines 4SC AG (DE) 2009-01-21 — — EP disclosed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 — — WO 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-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B PDPK1 37/4885SRC 1784/4885MMP12 4022/4885

“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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