SCHEMBL213250

SCHEMBL213250

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2nc3cc(OCc4ccncc4)ccc3[nH]2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
DHODH Q02127 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAOB P27338 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HCAR1 Q9BXC0 1/20 0.33
PKM P14618 1/20 0.33
OPRK1 P41145 1/20 0.33
KLF5 Q13887 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL213493 0.90 ROCK2 (0.39) ROCK2POLBMEN1KMT2AMAPT
SCHEMBL215040 0.86 MEN1 (0.40) ROCK2POLBMEN1KMT2ATP53
SCHEMBL214443 0.84 MEN1 (0.38) ROCK2POLBMEN1KMT2ATP53
SCHEMBL214560 0.83 MEN1 (0.42) ROCK2MEN1KMT2ATP53MAPT
SCHEMBL214814 0.83 CHEK2 (0.40) ROCK2POLBMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL215295 0.83 CHEK2 (0.40) ROCK2POLBMEN1KMT2ATP53
SCHEMBL214971 0.82 SMN1; SMN2 (0.41) ROCK2POLBMEN1KMT2ATP53
SCHEMBL216399 0.82 LMNA (0.45) ROCK2POLBMEN1KMT2AHCAR1
SCHEMBL216052 0.82 MAPT (0.46) ROCK2POLBMEN1KMT2AMAPT
SCHEMBL213666 0.79 ALDH1A1 (0.38) ROCK2POLBMEN1KMT2AMAPT

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 8 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 ROCK2 27/4885DHODH 3525/4885POLB 3464/4885

“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.