SCHEMBL5377693

SCHEMBL5377693

O=C(O)c1ccccc1-c1nn(C2CCCCO2)c2ccc(-c3ncn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.37
PPARG P37231 6/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ATR Q13535 5/20 0.34
DRD1 P21728 1/20 0.33
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
MCL1 Q07820 1/20 0.32
BRS3 P32247 1/20 0.32
PTGER4 P35408 1/20 0.32
FGFR1 P11362 1/20 0.31
DDR2 Q16832 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL5374224 0.89 DGAT2 (0.44) DGAT2RXRARXRBRXRGATR
SCHEMBL7532527 0.89 DRD1 (0.35) DGAT2PPARGRXRARXRBRXRG
SCHEMBL5802425 0.89 RXRA (0.35) DGAT2RXRARXRBRXRGATR
SCHEMBL5373368 0.86 DRD1 (0.34) DGAT2RXRARXRBRXRGATR
SCHEMBL4605947 0.85 CMKLR1 (0.34) DGAT2RXRARXRBRXRGATR
SCHEMBL8446279 0.85 DRD1 (0.36) DGAT2RXRARXRBRXRGATR
SCHEMBL1313297 0.84 DRD1 (0.35) RXRARXRBRXRGATRDRD1
SCHEMBL5377905 0.84 DRD1 (0.34) DGAT2RXRARXRBRXRGATR
SCHEMBL5374181 0.84 DRD1 (0.33) DGAT2RXRARXRBRXRGATR
SCHEMBL5651015 0.84 DRD1 (0.33) DGAT2RXRARXRBRXRGATR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 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 (2 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 DGAT2 1402/4885PPARG 914/4885RXRA 794/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 DGAT2 2141/4885PPARG 1385/4885RXRA 988/4885

“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.