SCHEMBL4402802

SCHEMBL4402802

Cn1ccc2c(CC(C)(C)C)cccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RHEB Q15382 1/20 0.41
NQO2 P16083 1/20 0.41
CCR4 P51679 1/20 0.39
RIPK1 Q13546 1/20 0.39
HSD11B1 P28845 4/20 0.38
HTR2A P28223 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ASH1L Q9NR48 1/20 0.36
CA2 P00918 1/20 0.36
RORC P51449 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TUBB4A P04350 1/20 0.34

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
SCHEMBL8739002 0.79 MAPT (0.46) GPR84KDM4EALDH1A1MAPTRXFP1
SCHEMBL1692284 0.79 MPO (0.43) CCR4RIPK1HTR2A
SCHEMBL15105484 0.78 KDM4E (0.44) GPR84KDM4EALDH1A1MAPTRXFP1
SCHEMBL112354 0.78 HTR2A (0.47) GPR84KDM4EALDH1A1MAPTRXFP1
SCHEMBL1288089 0.78 KDM4E (0.48) GPR84KDM4EALDH1A1MAPTRXFP1
SCHEMBL22746838 0.78 ALDH1A1 (0.44) GPR84KDM4EALDH1A1MAPTRXFP1
SCHEMBL12633553 0.76 GPR84 (0.67) GPR84KDM4EALDH1A1HTR2ACA2
SCHEMBL1254474 0.76 GPR84 (0.47) GPR84KDM4EALDH1A1MAPTRXFP1
SCHEMBL17784718 0.75 HDAC1 (0.44) GPR84KDM4EALDH1A1MAPTRXFP1
SCHEMBL31370592 0.75 HTR2A (0.62) GPR84KDM4EALDH1A1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US 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 (2 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK GPR84 2593/4885KDM4E 1791/4885ALDH1A1 780/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK GPR84 2593/4885KDM4E 1791/4885ALDH1A1 780/4885

“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.