SCHEMBL3473677

SCHEMBL3473677

CN(C)C(Cn1cc2ccc(C(=O)NCc3cccc(Cl)c3)cc2n1)c1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.59
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.46
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
NPC1 O15118 1/20 0.41
ROCK2 O75116 1/20 0.41
KLKB1 P03952 1/20 0.40
ADORA2A P29274 1/20 0.40
PTGER4 P35408 1/20 0.40

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
SCHEMBL3471053 0.92 THRB (0.60) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3475233 0.87 THRB (0.60) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3470964 0.84 THRB (0.57) THRBLMNADRD2NPC1ADORA2A
SCHEMBL3473277 0.84 THRB (0.64) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3470658 0.83 THRB (0.61) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3478421 0.80 THRB (0.64) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3474527 0.80 THRB (0.64) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3471611 0.79 THRB (0.70) THRBLMNADRD2NPC1ADORA2A
SCHEMBL3472393 0.79 THRB (0.72) THRBLMNADRD2NPC1ROCK2
SCHEMBL3472086 0.79 THRB (0.75) THRBLMNADRD2MEN1HCRTR1

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-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
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 548/4885LMNA 1715/4885DRD2 4622/4885

“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.