SCHEMBL214513

SCHEMBL214513

N#CCC(=O)N1CCC(Oc2ccc(NC(=O)c3c(C(N)=O)ncn3-c3nc4ccccc4[nH]3)c(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.40
KDM1A O60341 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.35
CHEK2 O96017 2/20 0.35
PIK3CA P42336 1/20 0.35
LMNA P02545 1/20 0.34
TNKS O95271 2/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
POLB P06746 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL216247 0.88 CHEK2 (0.43) KDM1AMAPTCHEK2LMNA
SCHEMBL214470 0.86 KDM1A (0.44) KDM1AMAPTCHEK2LMNA
Hydrochloric Acid SCHEMBL213798 0.85 KDM1A (0.43) KDM1AMAPTCHEK2LMNA
SCHEMBL214514 0.79 MEN1 (0.38) KDM1ATDP1MAPTPIK3CALMNA
SCHEMBL214143 0.78 KDM1A (0.42) KDM1AMAPTCHEK2LMNAPOLB
SCHEMBL216182 0.78 DRD3 (0.41) MAPTCHEK2PARP1
Hydrochloric Acid SCHEMBL215262 0.78 ITGB3 (0.41) CHEK2PARP1
SCHEMBL213455 0.77 EGLN1 (0.42) TDP1MAPTLMNA
SCHEMBL214697 0.77 KDM1A (0.42) KDM1AMAPTCHEK2
SCHEMBL217126 0.75 MAPT (0.41) KDM1AMAPTCHEK2LMNAPARP1

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 SCD 4087/4885KDM1A 963/4885TDP1 3233/4885

“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.