Sugi Predict

Sugi Predict / Compounds / SCHEMBL432592

SCHEMBL432592

SCHEMBL432592

[2H]C1([2H])NC(c2cccc(F)c2)C([2H])([2H])C1([2H])[2H]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ RCOR1 Q9UKL0 1/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL433202 0.83 HTR2A (0.36) CA1HTR2AHTR2CHTR2BTAAR1
SCHEMBL432589 0.81 CA1 (0.39) CA1HTR2AHTR2CHTR2BTAAR1
SCHEMBL21523837 0.74 CHRNB2 (0.48) CA1HTR2AHTR2CHTR2BTAAR1
SCHEMBL29891721 0.72 CHRNB2 (0.41) CA1HTR2AHTR2CHTR2BKMT2A
SCHEMBL3503155 0.70 CHRNB2 (0.53) CA1KMT2ASMN1; SMN2CYP2D6L3MBTL1
SCHEMBL166716 0.70 CHRNB2 (0.53) CA1KMT2ASMN1; SMN2CYP2D6L3MBTL1
SCHEMBL433220 0.70 CHRNB2 (0.53) CA1KMT2ASMN1; SMN2CYP2D6L3MBTL1
SCHEMBL29450150 0.70 CHRNB2 (0.53) CA1KMT2ASMN1; SMN2CYP2D6L3MBTL1
SCHEMBL23162031 0.69 HTR2A (0.41) CA1HTR2AHTR2CHTR2BTAAR1
SCHEMBL430992 0.69 HTR2A (0.41) CA1HTR2AHTR2CHTR2BTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 — — US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 — — US disclosed
EP-2614062-A1 IMIDAZO [1, 2]PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-07-17 — — EP disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 — — US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 — — US disclosed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 — — WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 — — 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-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K CA1 4740/4885HTR2A 4025/4885HTR2C 4181/4885

“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.