Sugi Predict

Sugi Predict / Compounds / SCHEMBL433202

SCHEMBL433202

SCHEMBL433202

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ RCOR1 Q9UKL0 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ NOS3 P29474 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
SCHEMBL432592 0.83 CA1 (0.40) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL431515 0.72 HCRTR2 (0.40) HTR2AHTR2CHTR2BTAAR1RIPK1
SCHEMBL432589 0.69 CA1 (0.39) HTR2AHTR2CHTR2BTAAR1RIPK1
SCHEMBL28038489 0.66 HTR2A (0.43) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL21523837 0.65 CHRNB2 (0.48) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL24950120 0.64 TAAR1 (0.48) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL29878889 0.63 HTR2C (0.47) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL1515236 0.63 HTR2C (0.47) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL20757695 0.62 CHRNB2 (0.53) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL30607048 0.62 CHRNB2 (0.53) HTR2AHTR2CHTR2BTAAR1KDM1A

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 HTR2A 4025/4885HTR2C 4181/4885HTR2B 4623/4885

“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.