Sugi Predict

Sugi Predict / Compounds / SCHEMBL1220082

SCHEMBL1220082

SCHEMBL1220082

CC(=O)OC(C)(CN1CCCCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ABCB1 P08183 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
SCHEMBL3696273 0.74 SMN1; SMN2 (0.41) GAANPSR1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL499877 0.71 HTR2A (0.40) GAANPSR1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13993911 0.70 ALDH1A1 (0.41) GAANPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13993907 0.70 ALDH1A1 (0.41) GAANPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5745485 0.69 ALDH1A1 (0.41) NPSR1ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL11351441 0.69 ALDH1A1 (0.36) GAAALDH1A1SMN1; SMN2CYP1A2MAPK1
SCHEMBL28023339 0.69 GAA (0.54) GAAALDH1A1CYP1A2
SCHEMBL16072539 0.68 NPSR1 (0.38) GAANPSR1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27544195 0.68 L3MBTL1 (0.41) GAANPSR1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13993921 0.67 ALDH1A1 (0.38) GAANPSR1ALDH1A1SMN1; SMN2CYP1A2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569937-B1 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2011-11-23 — — EP disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 — — US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 — — US disclosed
EP-2058314-A1 Pyrrolotriazine compounds as kinase inhibitors Bristol-Myers Squibb Company (US) 2009-05-13 — — EP disclosed
EP-1699798-A4 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-03-11 — — EP disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 — — US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 — — US disclosed
EP-1569937-A4 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2007-08-08 — — EP disclosed
US-7148220-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-12 — — US disclosed
US-7141571-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 — — US disclosed
US-7064203-B2 Di-substituted pyrrolotriazine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-06-20 — — US disclosed
US-20050222153-A1 C-6 modified indazolylpyrrolotriazines VITE GREGORY D 2005-10-06 — — US disclosed
US-20050197339-A1 Di-substituted pyrrolotrizine compounds BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 — — US disclosed
EP-1569937-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2005-09-07 — — EP disclosed
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 — — US disclosed
WO-2005066176-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 — — WO disclosed
WO-2005065266-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 — — WO disclosed
US-6916815-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 — — US disclosed
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 — — US disclosed
WO-2004054514-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-01 — — 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 (6 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 GAA 1657/4885NPSR1 764/4885ALDH1A1 3252/4885
US-20050222153-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR GAA 3095/4885NPSR1 1649/4885ALDH1A1 2251/4885
US-20050197339-A1 Di-substituted pyrrolotrizine compounds ERBB2, ERBB4, EGFR GAA 1444/4885NPSR1 387/4885ALDH1A1 1708/4885
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors ERBB2, ERBB4, ERBB3 GAA 1657/4885NPSR1 764/4885ALDH1A1 3252/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 GAA 1657/4885NPSR1 764/4885ALDH1A1 3252/4885
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR GAA 3055/4885NPSR1 1566/4885ALDH1A1 1983/4885

“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.