SCHEMBL1269137

SCHEMBL1269137

Nc1cc(C2(O)CC2)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ MITF O75030 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30

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
SCHEMBL18367050 0.75 ALDH1A1 (0.32) ALDH1A1KMT2AMKNK1MKNK2MEN1
SCHEMBL22833782 0.72 SLC6A2 (0.30) —
SCHEMBL22833663 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL22833932 0.70 SLC6A2 (0.34) —
SCHEMBL22833812 0.66 MKNK1 (0.30) MKNK1MKNK2
SCHEMBL64373 0.62 — —
SCHEMBL14865325 0.62 — —
SCHEMBL1060179 0.61 — —
Ammonia Solution, Strong SCHEMBL27855657 0.61 — —
Hydrochloric Acid SCHEMBL6618909 0.59 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041138-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-25 — — EP disclosed
US-8592579-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-26 — — US disclosed
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-29 — — US disclosed
US-8263765-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 — — US disclosed
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 — — US disclosed
US-7879855-B2 administering (S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide, for the treatment of cancers of the colon, lung, ovary, and pancreas; anticarcinogenic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-01 — — US disclosed
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-24 — — US disclosed
US-7534792-B2 e.g. 1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-methylpyrrolidine-2-carboxamide; tyrosine kinase inhibitor; anticarcinogenic, antiproliferative agent, neurodegenerative diseases; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 — — US disclosed
EP-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 — — EP disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 — — WO disclosed
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — 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 (4 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-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ALDH1A1 3049/4885KMT2A 844/4885MKNK1 105/4885
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ALDH1A1 3049/4885KMT2A 844/4885MKNK1 105/4885
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ALDH1A1 3049/4885KMT2A 844/4885MKNK1 105/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ALDH1A1 3049/4885KMT2A 844/4885MKNK1 105/4885

“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.

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