SCHEMBL6832144

SCHEMBL6832144

CCn1cncc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTR7 P34969 13/20 0.35
HTR6 P50406 13/20 0.35
HTR1A P08908 11/20 0.33
DRD2 P14416 3/20 0.33
RORC P51449 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2A P28223 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL19700906 0.81 PI4KA (0.35) CYP19A1CYP11B1CYP11B2IDO1
SCHEMBL13049820 0.78 IDO1 (0.33) IDO1
SCHEMBL14420979 0.78 RORC (0.36) CYP19A1CYP11B1CYP11B2HTR7HTR6
SCHEMBL2308094 0.75
SCHEMBL741588 0.72 QPCT (0.34) IDO1
SCHEMBL22623977 0.71 KCNH2 (0.40) CYP11B1CYP11B2HTR7HTR6HTR1A
SCHEMBL19630397 0.70
SCHEMBL4068886 0.70 DGAT1 (0.38)
SCHEMBL9944600 0.68 ALDH1A1 (0.30)
SCHEMBL21341552 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137344-A1 CLEAVAGE RESISTANT CD16 CONSTRUCTS AND USES THEREOF CELULARITY INC. (US) 2023-07-20 WO disclosed
US-20230028680-A1 EXPANSION OF NATURAL KILLER CELLS AND ILC3 CELLS WITH NOVEL AROMATIC COMPOUNDS CELULARITY INC. (US) 2023-01-26 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (7 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B CYP19A1 1310/4885CYP11B1 1811/4885CYP11B2 1829/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CYP19A1 3050/4885CYP11B1 3102/4885CYP11B2 3426/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR CYP19A1 495/4885CYP11B1 729/4885CYP11B2 753/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CYP19A1 2297/4885CYP11B1 1260/4885CYP11B2 1637/4885
US-20230028680-A1 EXPANSION OF NATURAL KILLER CELLS AND ILC3 CELLS WITH NOVEL AROMATIC COMPOUNDS PBK, ILF3, NFATC1 CYP19A1 1236/4885CYP11B1 954/4885CYP11B2 1426/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 CYP19A1 1902/4885CYP11B1 3188/4885CYP11B2 3537/4885
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 CYP19A1 2221/4885CYP11B1 1848/4885CYP11B2 2354/4885

“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.