Sugi Predict

Sugi Predict / Compounds / SCHEMBL6164001

SCHEMBL6164001

SCHEMBL6164001

COc1cccc(-c2c[nH]nn2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.51
▸ IDH1 O75874 1/20 0.38
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ APLNR P35414 3/20 0.36
▸ KDR P35968 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL17907394 0.82 KDM4E (0.39) BTKCCR1CCR8KDM4E
SCHEMBL3155981 0.82 BTK (0.61) BTKIDH1DDB1CRBNAPLNR
SCHEMBL5612663 0.78 CCR1 (0.61) CCR1CCR8KDM4E
SCHEMBL12676843 0.77 BTK (0.50) BTKIDH1DDB1CRBNAPLNR
SCHEMBL29672802 0.72 BTK (0.56) BTKIDH1DDB1CRBNAPLNR
SCHEMBL20801650 0.72 CYP1A1 (0.36) CCR1CCR8
SCHEMBL15886669 0.72 BTK (0.56) BTKIDH1DDB1CRBNAPLNR
SCHEMBL3142884 0.72 BTK (0.51) BTKIDH1KDRGABRA1GABRG2
SCHEMBL10142595 0.71 KDM4E (0.44) CCR1CCR8KDM4E
SCHEMBL31345402 0.71 ECE1 (0.38) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 — — US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 — — EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 — — US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 — — EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 — — WO claimed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 — — US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 — — EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 — — US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 — — EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 — — 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 (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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP BTK 2126/4885IDH1 3646/4885DDB1 4617/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP BTK 2136/4885IDH1 3469/4885DDB1 4699/4885

“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.