SCHEMBL5005280

SCHEMBL5005280

COc1nn(C(=O)OC(C)(C)C)c2ccc(N)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.43
NR1H2 P55055 1/20 0.41
ELANE P08246 3/20 0.37
HSP90AB1 P08238 2/20 0.36
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
CSNK1A1 P48729 1/20 0.35
GSK3A P49840 1/20 0.35
LIMK1 P53667 1/20 0.35
IKBKE Q14164 1/20 0.35
MAPK14 Q16539 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
BRD4 O60885 2/20 0.34
SMARCA2 P51531 1/20 0.33

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
SCHEMBL23782795 0.86 HTR6 (0.45) MAP2K4ELANEGABRG2GABRB3GABRA5
SCHEMBL30501085 0.86 HTR6 (0.45) MAP2K4ELANEGABRG2GABRB3GABRA5
SCHEMBL660243 0.85 MAP2K4 (0.45) MAP2K4NR1H2ELANEHSP90AB1CHEK1
SCHEMBL24148157 0.85 ELANE (0.44) MAP2K4ELANE
SCHEMBL3517327 0.84 MAP2K4 (0.44) MAP2K4NR1H2ELANEHSP90AB1CHEK1
SCHEMBL3514381 0.83 MAP2K4 (0.43) MAP2K4NR1H2ELANEHSP90AB1CHEK1
SCHEMBL12194054 0.82 ELANE (0.49) MAP2K4NR1H2ELANEGABRG2GABRB3
SCHEMBL15081301 0.81 MAP2K4 (0.44) MAP2K4NR1H2ELANEHSP90AB1CHEK1
SCHEMBL5005856 0.81 ELANE (0.48) MAP2K4ELANECNR1ACHECNR2
SCHEMBL4006762 0.79 MAP2K4 (0.58) MAP2K4NR1H2ELANESMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 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 (1 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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK MAP2K4 58/4885NR1H2 2546/4885ELANE 4885/4885

“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.