Sugi Predict

Sugi Predict / Compounds / SCHEMBL1446090

SCHEMBL1446090

SCHEMBL1446090

C[C@@H](CCON(C)C=O)Oc1cc(F)cc(NC(=O)Nc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 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
SCHEMBL1446437 0.88 CYP1A2 (0.37) CYP1A2KDM4EMAPTMEN1KMT2A
SCHEMBL1445958 0.85 CYP1A2 (0.50) CYP1A2TAAR1KDM4ENPC1RAB9A
SCHEMBL1446121 0.83 TAAR1 (0.54) CYP1A2TAAR1KDM4ENPC1RAB9A
SCHEMBL1446052 0.81 CYP1A2 (0.50) CYP1A2TAAR1KDM4ENPC1RAB9A
SCHEMBL1446311 0.81 CYP1A2 (0.50) CYP1A2TAAR1KDM4ENPC1RAB9A
SCHEMBL397837 0.81 TAAR1 (0.52) CYP1A2TAAR1KDM4ENPC1RAB9A
SCHEMBL1446421 0.81 TAAR1 (0.54) CYP1A2TAAR1KDM4ENPC1RAB9A
SCHEMBL1447131 0.81 CYP1A2 (0.49) CYP1A2TAAR1KDM4ENPC1RAB9A
SCHEMBL1446374 0.80 CYP1A2 (0.53) CYP1A2TAAR1KDM4ENPC1RAB9A
SCHEMBL1445997 0.80 CYP1A2 (0.53) CYP1A2TAAR1KDM4ENPC1RAB9A

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-7910743-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-03-22 — — US claimed
US-20090324511-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-12-31 — — US claimed
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 — — US claimed
US-7910743-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-03-22 — — US disclosed
US-20090324511-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-12-31 — — US disclosed
US-7538223-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-05-26 — — US disclosed
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 — — 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-20090324511-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885TAAR1 4657/4885KDM4E 2421/4885
US-20070066626-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885TAAR1 4657/4885KDM4E 2421/4885

“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.