SCHEMBL983761

SCHEMBL983761

Nc1cnc2[nH]c(C3CCCN(C(=O)OCc4ccccc4)C3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.49
JAK1 P23458 3/20 0.49
TYK2 P29597 2/20 0.49
JAK3 P52333 2/20 0.49
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 2/20 0.47
USP30 Q70CQ3 1/20 0.45
GRIN2B Q13224 4/20 0.44
LCK P06239 2/20 0.43
BCL9 O00512 2/20 0.42
CTNNB1 P35222 2/20 0.42
PDE4B Q07343 1/20 0.42
PRMT5 O14744 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL987875 0.90 GRIN2B (0.50) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL986440 0.86 JAK2 (0.47) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL986864 0.83 CYP1A2 (0.43) CYP2C19SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL986956 0.76 GRIN2B (0.47) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL9986277 0.75 JAK2 (0.59) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL29080044 0.75 JAK2 (0.55) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL29080164 0.74 JAK2 (0.52) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL9962337 0.73 JAK2 (0.51) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL14530355 0.73 JAK2 (0.50) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL4513756 0.73 JAK2 (0.54) JAK2JAK1TYK2JAK3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF JAK2 401/4885JAK1 353/4885TYK2 690/4885

“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.