SCHEMBL844875

SCHEMBL844875

c1cc2cnc(-c3cn[nH]c3)nc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.53
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
INCENP Q9NQS7 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
JAK1 P23458 6/20 0.39
JAK2 O60674 3/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
MAPK8 P45983 1/20 0.36
AXL P30530 2/20 0.36
CDK8 P49336 1/20 0.36
KCNA5 P22460 1/20 0.36
RPS6KA3 P51812 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL845813 0.78 CDK8 (0.37) MAPK1AURKBMAPK8AXLCDK8
SCHEMBL30352947 0.77 CDK8 (0.54) MAPK1AURKBJAK2MAPK8AXL
SCHEMBL20508757 0.76 PIK3CD (0.56) MAPK1AXLCDK8ALOX5APFEN1
SCHEMBL28322681 0.75 ADORA3 (0.40) AXLCDK8ALOX5APFEN1PIK3CD
SCHEMBL5607323 0.75 RIPK1 (0.57) MAPK1AXLCDK8ALOX5APFEN1
SCHEMBL17065188 0.75 MAPK1 (0.51) MAPK1AXLCDK8ALOX5APFEN1
SCHEMBL14147617 0.73 CDK8 (0.63) MAPK1AURKAAURKBINCENPTPX2
SCHEMBL4283965 0.72 AXL (0.36) MAPK1AXLCDK8ALOX5APFEN1
SCHEMBL15348641 0.72 MAPK1 (0.35) MAPK1AXLCDK8ALOX5APFEN1
SCHEMBL17065175 0.72 MAP3K11 (0.46) MAPK1CDK8PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220372135-A1 METHODS FOR TREATING MYELOFIBROSIS AND RELATED CONDITIONS DISC MEDICINE, INC. (US) 2022-11-24 US disclosed
WO-2021062171-A1 METHODS FOR TREATING ANEMIA OF CHRONIC DISEASE DISC MEDICINE, INC. (US) 2021-04-01 WO disclosed
WO-2021062163-A1 METHODS FOR TREATING MYELOFIBROSIS AND RELATED CONDITIONS DISC MEDICINE, INC. (US) 2021-04-01 WO disclosed
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
WO-2020023389-A1 REDUCED EXPOSURE COMPOSITIONS MODULATING THERAPEUTIC TARGETS SIENNA BIOPHARMACEUTICALS, INC. (US) 2020-01-30 WO disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
WO-2018175315-A1 POLYMER CONJUGATES OF STAUROSPORINE DERIVATIVES HAVING REDUCED EXPOSURE SIENNA BIOPHARMACEUTICALS, INC. (US) 2018-09-27 WO disclosed
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 US disclosed
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US disclosed
WO-2012068450-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed
CN-102458581-A N- (hetero) aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo [2,3-d ] pyrimidines and pyrrol-3-yl-pyrrolo [2,3-d ] pyrimidines as JANUS kinase inhibitors INCYTE CORP 2012-05-16 CN disclosed
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2011028685-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-03-10 WO disclosed
WO-2011028685-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-03-10 WO disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 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 (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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 MAPK1 46/4885AURKA 411/4885AURKB 438/4885
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPK1 352/4885AURKA 194/4885AURKB 305/4885
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 MAPK1 364/4885AURKA 541/4885AURKB 327/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 MAPK1 430/4885AURKA 482/4885AURKB 275/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 MAPK1 364/4885AURKA 541/4885AURKB 327/4885

“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.