SCHEMBL213807

SCHEMBL213807

CC1CCCCC1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.43
SYK P43405 2/20 0.43
LRRK2 Q5S007 2/20 0.43
TSSK3 Q96PN8 2/20 0.43
ALDH1A1 P00352 6/20 0.43
TSHR P16473 3/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 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
SCHEMBL215115 0.87 SMN1; SMN2 (0.48) ALDH1A1POLBNPSR1CYP1A2CYP3A4
SCHEMBL215769 0.82 PARP1 (0.46) POLBSMN1; SMN2
SCHEMBL213906 0.81 CNR1 (0.44) TSHRPOLBNPSR1MAPTHTT
SCHEMBL214714 0.76 MAPT (0.44) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL216069 0.76 MPO (0.47) ALDH1A1MAPTHTTLMNAGAA
SCHEMBL213707 0.76 BACE1 (0.44) ALDH1A1TSHRPOLBHTTSMN1; SMN2
SCHEMBL214773 0.75 KDM4E (0.45) ALDH1A1TSHRPOLBNPSR1CYP1A2
SCHEMBL213970 0.75 SMN1; SMN2 (0.48) ALDH1A1POLBMAPTGAARXFP1
SCHEMBL214872 0.75 MAPT (0.42) ALDH1A1POLBNPSR1CYP1A2CYP3A4
SCHEMBL214646 0.74 EPHB3 (0.44) ALDH1A1TSHRPOLBNPSR1CYP3A4

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
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

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 412/4885SYK 52/4885LRRK2 644/4885

“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.