SCHEMBL214814

SCHEMBL214814

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2nc3cc(OCC4CCNCC4)ccc3[nH]2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 7/20 0.40
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
ROCK2 O75116 1/20 0.35
KDM1A O60341 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TP53 P04637 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
POLB P06746 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL215295 0.99 CHEK2 (0.40) CHEK2ITGB3ITGA2BROCK2KDM1A
SCHEMBL214620 0.89 CHEK2 (0.39) CHEK2ITGB3ITGA2BROCK2KDM1A
SCHEMBL214374 0.89 CHEK2 (0.39) CHEK2ITGB3ITGA2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL216277 0.88 CHEK2 (0.39) CHEK2ITGB3ITGA2BKDM1AMEN1
Hydrochloric Acid SCHEMBL214582 0.88 CHEK2 (0.39) CHEK2ITGB3ITGA2BKDM1APOLB
SCHEMBL213422 0.86 RAB9A (0.43) CHEK2ITGB3ITGA2BKDM1AMEN1
SCHEMBL215040 0.84 MEN1 (0.40) ROCK2MEN1KMT2ATP53POLB
SCHEMBL213250 0.83 ROCK2 (0.40) ITGB3ITGA2BROCK2MEN1KMT2A
SCHEMBL214443 0.82 MEN1 (0.38) ROCK2MEN1KMT2ATP53POLB
SCHEMBL216399 0.81 LMNA (0.45) CHEK2ROCK2MEN1KMT2APOLB

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 CHEK2 412/4885ITGB3 2302/4885ITGA2B 1380/4885

“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.