SCHEMBL1571902

SCHEMBL1571902

O=C(O)N1CCC(Oc2cc3nc(Nc4cccc(-c5cccnc5)c4)ncc3cc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
SYK P43405 2/20 0.41
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
SRC P12931 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
BRAF P15056 1/20 0.40
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
CHUK O15111 1/20 0.40
PRKCA P17252 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL1872243 0.89 GPR119 (0.44) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL4563361 0.87 TBK1 (0.46) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL1571664 0.86 EGFR (0.49) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL1571583 0.85 IKBKB (0.41) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL1570314 0.78 IKBKB (0.45) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL1571689 0.78 EGFR (0.51) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL1570949 0.77 TBK1 (0.46) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL1572268 0.77 IGF1R (0.43) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL12671155 0.77 IKBKB (0.43) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL1572127 0.76 EGFR (0.46) IKBKBJAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 IKBKB 942/4885JAK2 1056/4885JAK1 1597/4885

“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.