Sugi Predict

Sugi Predict / Compounds / SCHEMBL9918362

SCHEMBL9918362

SCHEMBL9918362

CC(C#N)Oc1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TYR P14679 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 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
SCHEMBL11260632 0.94 MAPT (0.39) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL11156880 0.83 L3MBTL1 (0.45) ALDH1A1GAA
SCHEMBL15652387 0.83 TDP1 (0.43) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL5226607 0.81 CA1 (0.48) ALDH1A1GAARAB9ALMNASMN1; SMN2
SCHEMBL9921642 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL10572263 0.79 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL10906948 0.79 ESR2 (0.46) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL6574277 0.79 GAA (0.44) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL8889549 0.79 RAB9A (0.40) MEN1KMT2ARAB9AIDO1TYR
SCHEMBL9918887 0.79 PYCR1 (0.37) MEN1KMT2ARAB9AIDO1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 — — 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 (3 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 ALDH1A1 1632/4885GAA 4531/4885MEN1 888/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 1654/4885GAA 3124/4885MEN1 436/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 1507/4885GAA 3039/4885MEN1 440/4885

“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.