SCHEMBL18001068

SCHEMBL18001068

C=CC(=O)Nc1cccc(-c2ccc3cnc(Nc4ccc(N5CCN(CC(C)(C)O)CC5)cc4)nn23)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.54
FGFR2 P21802 1/20 0.54
BTK Q06187 7/20 0.53
EGFR P00533 5/20 0.52
INSR P06213 2/20 0.52
ALK Q9UM73 1/20 0.52
JAK3 P52333 8/20 0.52
JAK1 P23458 3/20 0.48
TYK2 P29597 2/20 0.48
FLT3 P36888 1/20 0.47
PTK2 Q05397 1/20 0.47
TTK P33981 1/20 0.47

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
SCHEMBL18001623 0.91 FGFR2 (0.55) JAK2FGFR2BTKEGFRJAK3
SCHEMBL18001119 0.90 FGFR2 (0.54) JAK2FGFR2BTKEGFRJAK3
SCHEMBL18001439 0.89 FGFR2 (0.68) JAK2FGFR2BTKEGFRINSR
SCHEMBL18000936 0.89 ALK (0.67) JAK2BTKEGFRINSRALK
SCHEMBL18001997 0.88 FGFR2 (0.56) JAK2FGFR2BTKEGFRINSR
SCHEMBL18001871 0.86 INSR (0.67) JAK2BTKEGFRINSRALK
SCHEMBL18000636 0.86 FGFR1 (0.56) JAK2FGFR2BTKEGFRALK
SCHEMBL18001813 0.85 BTK (0.49) JAK2FGFR2BTKEGFRJAK3
SCHEMBL521054 0.84 ALK (0.58) JAK2INSRALKPTK2
SCHEMBL16513850 0.81 FGFR2 (0.80) JAK2FGFR2BTKEGFRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-06-03 US claimed
EP-3270694-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2018-01-24 EP claimed
US-20160304471-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2016-10-20 US claimed
WO-2016133935-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2016-08-25 WO claimed
US-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-06-03 US disclosed
US-10947201-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2021-03-16 US disclosed
EP-3270694-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2018-01-24 EP disclosed
US-20160304471-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2016-10-20 US disclosed
WO-2016133935-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2016-08-25 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 (3 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-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 JAK2 53/4885FGFR2 365/4885BTK 172/4885
US-10947201-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 JAK2 53/4885FGFR2 365/4885BTK 172/4885
US-20160304471-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 JAK2 53/4885FGFR2 365/4885BTK 172/4885

“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.