SCHEMBL8106620

SCHEMBL8106620

O=C1/C(=C/c2ccccn2)CNC/C1=C\c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 7/20 1.00
▸ MAPK1 P28482 6/20 1.00
▸ RAF1 P04049 4/20 1.00
▸ RPS6KB1 P23443 4/20 1.00
▸ AKT1 P31749 4/20 1.00
▸ AKT2 P31751 4/20 1.00
▸ KDR P35968 4/20 1.00
▸ PRKAG1 P54619 4/20 1.00
▸ MAP2K1 Q02750 4/20 1.00
▸ PRKAA1 Q13131 4/20 1.00
▸ NEK1 Q96PY6 4/20 1.00
▸ PRKAB1 Q9Y478 4/20 1.00
▸ MAPKAPK2 P49137 3/20 1.00
▸ MAPK14 Q16539 2/20 1.00
▸ PRDX1 Q06830 1/20 1.00
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ MAPT P10636 4/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MEN1 O00255 4/20 0.64

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
SCHEMBL21460535 1.00 IKBKB (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL29794510 1.00 IKBKB (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL21460534 1.00 IKBKB (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL12948680 0.82 MAPK1 (0.70) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL31070046 0.81 MAPK1 (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL10062873 0.81 MAPK1 (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL17899536 0.81 IKBKB (0.68) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL28214806 0.79 MAPK1 (0.66) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL3006214 0.79 MAPK1 (0.64) IKBKBMAPK1RAF1RPS6KB1AKT1
SCHEMBL17899485 0.78 MAPT (1.00) IKBKBMAPK1RAF1RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842705-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2010-11-30 — — US disclosed
US-7842705-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2010-11-30 — — US disclosed
WO-2008150899-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER AND INFLAMMATORY DISEASES EMORY UNIVERSITY (US) 2008-12-11 — — WO disclosed
US-20080234320-A1 CURCUMIN ANALOGS WITH ANTI-TUMOR AND ANTI-ANGIOGENIC PROPERTIES EMORY UNIVERSITY 2008-09-25 — — US disclosed
US-20080234320-A1 CURCUMIN ANALOGS WITH ANTI-TUMOR AND ANTI-ANGIOGENIC PROPERTIES EMORY UNIVERSITY 2008-09-25 — — US disclosed
US-7371766-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2008-05-13 — — US disclosed
US-7371766-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2008-05-13 — — 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-20080234320-A1 CURCUMIN ANALOGS WITH ANTI-TUMOR AND ANTI-ANGIOGENIC PROPERTIES PGF, VEGFA, VHL IKBKB 178/4885MAPK1 4501/4885RAF1 4090/4885

“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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