Sugi Predict

Sugi Predict / Compounds / Pyrrole

Pyrrole

Pyrrole

SCHEMBL4100621

NC(=O)c1ncncn1.c1cc[nH]c1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ F3 P13726 1/20 0.31
▸ SARM1 Q6SZW1 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ SIRT3 Q9NTG7 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31
▸ SIRT4 Q9Y6E7 1/20 0.31
▸ GDA Q9Y2T3 1/20 0.31

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
SCHEMBL1462055 0.85 — —
Pyrrole SCHEMBL985895 0.83 P2RX7 (0.48) P2RX7ADORA3TSHRMC4RADRA1A
Hydrochloric Acid SCHEMBL27813479 0.83 HSP90AA1 (0.39) P2RX7ADORA3TSHRMC4RADRA1A
Pyrrole SCHEMBL6022424 0.82 HCAR2 (0.32) —
SCHEMBL2554276 0.77 CSNK1A1 (0.33) HSP90AA1CSNK1A1TYRO3DYRK1BF7
Pyrrole SCHEMBL28251453 0.74 P2RX7 (0.54) P2RX7ADORA3TSHRMC4RADRA1A
SCHEMBL5736104 0.72 SYK (0.34) CSNK1A1TYRO3DYRK1B
Pyrrole SCHEMBL5142032 0.69 — —
Imidazole SCHEMBL14714358 0.69 ALDH1A1 (0.48) P2RX7ADORA3TSHRMC4RADRA1A
SCHEMBL158178 0.68 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590335-A4 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-08 — — EP claimed
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors CHEN BANG-CHI 2006-02-23 — — US claimed
EP-1590335-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-02 — — EP claimed
WO-2004072030-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 — — WO claimed
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-12 — — US claimed
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 — — US disclosed
EP-1503996-B1 ARYL KETONE PYRROLO-TRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-24 — — EP disclosed
US-7314876-B2 Aryl ketone pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 — — US disclosed
EP-1503996-A4 ARYL KETONE PYRROLO-TRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-05-17 — — EP disclosed
US-7034151-B2 1,4-dihydro-4-oxo-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylates; novel approach to the formation of the bicyclic heterocyclic ring system BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 — — US disclosed
EP-1590335-A4 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-08 — — EP disclosed
EP-1363910-B1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-01 — — EP disclosed
WO-2004072030-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 — — WO disclosed
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-12 — — US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 — — US disclosed
US-20030232831-A1 Aryl ketone pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 — — US disclosed
EP-1363910-A2 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-26 — — EP disclosed
WO-2003091229-A1 ARYL KETONE PYRROLO-TRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-06 — — WO disclosed
US-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 — — US disclosed
WO-2002040486-A2 METHODS OF TREATING p38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-23 — — 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 (5 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-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK6 P2RX7 2756/4885ADORA3 4617/4885TSHR 987/4885
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 P2RX7 2386/4885ADORA3 4419/4885TSHR 387/4885
US-20030232831-A1 Aryl ketone pyrrolo-triazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK15 P2RX7 1981/4885ADORA3 2773/4885TSHR 931/4885
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 P2RX7 3584/4885ADORA3 4522/4885TSHR 2377/4885
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 P2RX7 3584/4885ADORA3 4522/4885TSHR 2377/4885

“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.