SCHEMBL3470653

SCHEMBL3470653

Cc1nc(CCn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)cs1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA2A P29274 1/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL3471136 0.85 THRB (0.65) THRBLMNADRD2ALDH1A1MEN1
SCHEMBL3472086 0.85 THRB (0.75) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3471157 0.83 THRB (0.70) THRBSMN1; SMN2LMNADRD2ALDH1A1
SCHEMBL3472393 0.83 THRB (0.72) THRBLMNADRD2ALDH1A1ADORA2A
SCHEMBL3471611 0.81 THRB (0.70) THRBLMNADRD2ALDH1A1ADORA2A
SCHEMBL3470798 0.81 THRB (0.67) THRBLMNAALDH1A1ADORA2A
SCHEMBL3472330 0.80 THRB (0.70) THRBLMNADRD2ALDH1A1MEN1
SCHEMBL3928231 0.80 THRB (0.68) THRBLMNADRD2ALDH1A1NPC1
SCHEMBL3471629 0.79 THRB (0.78) THRBSMN1; SMN2LMNADRD2MEN1
SCHEMBL3471765 0.79 THRB (0.69) THRBLMNADRD2ALDH1A1MEN1

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 548/4885SMN1; SMN2 4341/4885LMNA 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.