SCHEMBL3472264

SCHEMBL3472264

COC(=O)c1ccc2cn(CCn3cccn3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.60
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PTGER4 P35408 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL13401292 0.88 THRB (0.47) THRBKDM4EALOX15HTTALDH1A1
SCHEMBL3471092 0.85 THRB (0.61) THRBKDM4EHTTNAMPTALDH1A1
SCHEMBL24338407 0.83 KDM4E (0.46) THRBKDM4EALOX15HTTALDH1A1
SCHEMBL24337909 0.82 KDM4E (0.54) KDM4EALOX15HTTALDH1A1TSHR
SCHEMBL12707008 0.81 TLR8 (0.48) KDM4EALDH1A1TSHRHSD17B10
SCHEMBL22836745 0.81 TLR7 (0.45) THRBKDM4EALOX15HTTALDH1A1
SCHEMBL3067040 0.81 IRAK4 (0.46) THRBKDM4EALOX15HTTALDH1A1
SCHEMBL1603610 0.81 CASR (0.44) THRBKDM4EALOX15HTTALDH1A1
SCHEMBL12707001 0.80 CNR2 (0.48) THRBKDM4EALOX15HTTALDH1A1
SCHEMBL28274080 0.79 IRAK4 (0.48) KDM4EALDH1A1TSHRHSD17B10

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 548/4885KDM4E 1962/4885ALOX15 910/4885

“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.