SCHEMBL1964982

SCHEMBL1964982

O=[N+]([O-])c1ccc(Oc2ccnn3cccc23)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.48
AXL P30530 12/20 0.47
MET P08581 7/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR4 O95977 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL31554493 0.87 HSPB1 (0.50) HSPB1AXLALDH1A1MAPTMAPK1
SCHEMBL12405902 0.85 ALDH1A1 (0.41) HSPB1AXLALDH1A1MAPTMAPK1
SCHEMBL4817688 0.82 MAP4K4 (0.44) HSPB1METALDH1A1MAPTMAPK1
SCHEMBL31554532 0.81 HSPB1 (0.44) HSPB1AXLALDH1A1MAPTMAPK1
SCHEMBL1396331 0.81 ATM (0.45) HSPB1AXLMETALDH1A1MAPT
SCHEMBL3484559 0.81 KMT2A (0.56) HSPB1AXLALDH1A1MAPTMAPK1
SCHEMBL16863203 0.80 AXL (0.47) HSPB1AXLMETALDH1A1MAPT
SCHEMBL18199832 0.80 HSPB1 (0.45) HSPB1AXLMETALDH1A1MAPT
SCHEMBL16863400 0.80 HSPB1 (0.48) HSPB1AXLALDH1A1MAPTMAPK1
SCHEMBL1962922 0.80 HSPB1 (0.45) HSPB1AXLALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042905-B1 PROTEIN KINASE INHIBITOR CONTAINING PYRROLOPYRIDAZINE DERIVATIVE WELLMARKER BIO CO LTD (KR) 2020-06-17 EP disclosed
US-9815840-B2 Protein kinase inhibitor containing pyrrolopyridazine derivative THE ASAN FOUNDATION (KR) 2017-11-14 US disclosed
US-9815840-B2 Protein kinase inhibitor containing pyrrolopyridazine derivative THE ASAN FOUNDATION (KR) 2017-11-14 US disclosed
US-9815840-B2 Protein kinase inhibitor containing pyrrolopyridazine derivative THE ASAN FOUNDATION (KR) 2017-11-14 US disclosed
US-20160207931-A1 PROTEIN KINASE INHIBITOR CONTAINING PYRROLOPYRIDAZINE DERIVATIVE CJ HEALTHCARE CORPORATION (KR) 2016-07-21 US disclosed
US-20160207931-A1 PROTEIN KINASE INHIBITOR CONTAINING PYRROLOPYRIDAZINE DERIVATIVE CJ HEALTHCARE CORPORATION (KR) 2016-07-21 US disclosed
US-20160207931-A1 PROTEIN KINASE INHIBITOR CONTAINING PYRROLOPYRIDAZINE DERIVATIVE CJ HEALTHCARE CORPORATION (KR) 2016-07-21 US disclosed
EP-3042905-A1 PROTEIN KINASE INHIBITOR CONTAINING PYRROLOPYRIDAZINE DERIVATIVE CJ Healthcare Corporation (KR) 2016-07-13 EP disclosed
WO-2015034213-A1 PROTEIN KINASE INHIBITOR CONTAINING PYRROLOPYRIDAZINE DERIVATIVE 씨제이헬스케어 주식회사 (KR) 2015-03-12 WO disclosed
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
EP-1768983-A2 FUSED HETEROCYCLIC KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-04 EP disclosed
EP-1761268-A2 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-03-14 EP disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006004636-A2 FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
WO-2006004833-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 HSPB1 2930/4885AXL 452/4885MET 721/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 HSPB1 2677/4885AXL 880/4885MET 2109/4885
US-20160207931-A1 PROTEIN KINASE INHIBITOR CONTAINING PYRROLOPYRIDAZINE DERIVATIVE MAPKAPK5, MAP3K5, PRKCA HSPB1 1364/4885AXL 1559/4885MET 1763/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 HSPB1 2930/4885AXL 452/4885MET 721/4885

“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.