SCHEMBL216234

SCHEMBL216234

COc1ccc2nc(NC(=O)c3ncn(-c4ccc(C)cc4C)c3C(N)=O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.44
ROCK2 O75116 1/20 0.43
DHX15 O43143 1/20 0.43
ABL1 P00519 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 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
SCHEMBL216399 0.86 LMNA (0.45) IRAK4ROCK2DHX15ABL1KMT2A
SCHEMBL213622 0.78 KCNH2 (0.41)
SCHEMBL213793 0.78 RAB9A (0.43) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL215040 0.78 MEN1 (0.40) ROCK2RAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL215093 0.78 RAB9A (0.42) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL213250 0.76 ROCK2 (0.40) IRAK4ROCK2RAB9ANPC1KMT2A
SCHEMBL214443 0.75 MEN1 (0.38) ROCK2RAB9ANPC1KMT2AMEN1
SCHEMBL2735414 0.75 KMT2A (0.53) IRAK4DHX15ABL1RAB9ANPC1
SCHEMBL2735276 0.75 KMT2A (0.53) IRAK4DHX15ABL1RAB9ANPC1
SCHEMBL214814 0.75 CHEK2 (0.40) ROCK2KMT2AMEN1POLB

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 IRAK4 98/4885ROCK2 27/4885DHX15 3491/4885

“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.