Sugi Predict

Sugi Predict / Compounds / SCHEMBL4082657

SCHEMBL4082657

SCHEMBL4082657

CO/C=C/c1cnc(OC)nc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ CRHR1 P34998 1/20 0.35
▸ MYC P01106 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 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
SCHEMBL4082660 1.00 QPCT (0.38) QPCTQPCTLCRHR1MYCPIK3CD
SCHEMBL12408963 0.84 QPCT (0.38) QPCTQPCTLCRHR1MYCPIK3CD
SCHEMBL8966684 0.82 QPCT (0.38) QPCTQPCTLCRHR1MYCPIK3CD
SCHEMBL8966682 0.82 QPCT (0.38) QPCTQPCTLCRHR1MYCPIK3CD
SCHEMBL1904655 0.78 QPCT (0.39) QPCTQPCTLCRHR1MYCPIK3CD
SCHEMBL16768951 0.78 QPCT (0.39) QPCTQPCTLCRHR1MYCPIK3CD
SCHEMBL3930316 0.77 MYC (0.40) QPCTQPCTLMYCGAAPLAU
SCHEMBL30961463 0.74 MYC (0.42) QPCTQPCTLCRHR1MYCCYP1A2
SCHEMBL13334630 0.73 HTR2A (0.37) QPCTQPCTLCRHR1PIK3CDABL1
SCHEMBL3322899 0.72 CHRNB2 (0.42) QPCTQPCTLCRHR1MYCPIK3CD

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
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 — — US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 — — US disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 — — EP disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 — — EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 — — US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 — — 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 (2 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT QPCT 178/4885QPCTL 1280/4885CRHR1 1363/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 QPCT 141/4885QPCTL 1088/4885CRHR1 340/4885

“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.