SCHEMBL3472707

SCHEMBL3472707

O=C(NCc1cccc(Cl)c1)c1cc(Cl)c2cn(CCn3cccn3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 1.00
KLKB1 P03952 2/20 0.51
NPC1 O15118 1/20 0.47
ROCK2 O75116 2/20 0.44
SNCA P37840 1/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3471703 0.89 THRB (1.00) THRBKLKB1NPC1ROCK2
SCHEMBL3472066 0.86 THRB (1.00) THRBKLKB1NPC1ROCK2MAPK3
SCHEMBL3473388 0.83 THRB (0.71) THRBKLKB1NPC1ROCK2SMN1; SMN2
SCHEMBL3471171 0.82 THRB (0.70) THRBNPC1ROCK2TP53MAPT
SCHEMBL3474170 0.81 THRB (0.78) THRBKLKB1NPC1ROCK2TP53
SCHEMBL15142119 0.75 KLKB1 (0.75) THRBKLKB1NPC1
SCHEMBL3472593 0.74 THRB (0.78) THRBKLKB1NPC1ROCK2MAPK3
SCHEMBL3471629 0.74 THRB (0.78) THRBKLKB1NPC1ROCK2MAPT
SCHEMBL3470649 0.73 THRB (0.76) THRBKLKB1DRD2
SCHEMBL3470667 0.73 THRB (0.73) THRBROCK2TP53MAPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 EP disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 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-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT THRB 548/4885KLKB1 1538/4885NPC1 2941/4885

“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.