SCHEMBL3472330

SCHEMBL3472330

Cc1cc(C)n(CCn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)n1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.70
DRD2 P14416 1/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46
KMT2A Q03164 1/20 0.46
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ROCK2 O75116 1/20 0.43
ADORA2A P29274 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL3471765 0.87 THRB (0.69) THRBDRD2LMNAMEN1HCRTR1
SCHEMBL3470893 0.83 THRB (0.60) THRBDRD2LMNAMEN1HCRTR1
SCHEMBL3471629 0.83 THRB (0.78) THRBDRD2LMNAMEN1KMT2A
SCHEMBL3472086 0.83 THRB (0.75) THRBDRD2LMNAMEN1HCRTR1
SCHEMBL3472066 0.83 THRB (1.00) THRBDRD2LMNAKLKB1ROCK2
SCHEMBL3472593 0.82 THRB (0.78) THRBDRD2LMNAKLKB1ROCK2
SCHEMBL3472393 0.81 THRB (0.72) THRBDRD2LMNAALDH1A1ROCK2
SCHEMBL3470671 0.81 THRB (0.69) THRBDRD2LMNAKLKB1ROCK2
SCHEMBL8221796 0.81 THRB (0.68) THRBDRD2LMNAMEN1HCRTR1
SCHEMBL3470649 0.80 THRB (0.76) THRBDRD2LMNAKLKB1KLK1

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 3 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
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 548/4885DRD2 4622/4885LMNA 1715/4885

“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.