SCHEMBL216124

SCHEMBL216124

Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
GBA1 P04062 1/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL214964 0.88 DRD4 (0.39) KMT2AMEN1USP2LMNAPKM
SCHEMBL214453 0.88 ALDH1A1 (0.37) LMNAMAPTKDM4EHTR1AADRA2C
Hydrochloric Acid SCHEMBL214494 0.87 ALDH1A1 (0.36) LMNAMAPTKDM4EHTR1AADRA2C
SCHEMBL214367 0.87 FAAH (0.40) GAAMAPK1MAPTSMN1; SMN2HTR1A
SCHEMBL215214 0.86 KDM4E (0.41) KMT2AMEN1GAAUSP2LMNA
SCHEMBL214206 0.85 HTR1A (0.37) USP2LMNAHSD17B10PKMMAPK1
SCHEMBL217227 0.81 POLB (0.37) KMT2AMEN1HPGDUSP2LMNA
SCHEMBL213623 0.80 MAP2 (0.36) SMN1; SMN2KDM4ETDP1
SCHEMBL214715 0.79 POLB (0.40) KMT2AGAAHPGDLMNAHTT
SCHEMBL214094 0.79 DRD3 (0.40) KMT2AMEN1GAALMNAMAPT

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 PTGDR 1355/4885KMT2A 437/4885MEN1 3504/4885

“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.