SCHEMBL5667992

SCHEMBL5667992

Nc1cccc(-c2nn(-c3nc(C(c4ccccc4)(c4ccccc4)c4ccccc4)n(C4CCCCO4)n3)c3ccccc23)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.33
CTSD P07339 2/20 0.33
PTGER1 P34995 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RAD51 Q06609 1/20 0.31
GUCY1A1 Q02108 2/20 0.30
GUCY1B1 Q02153 2/20 0.30
PDE8B O95263 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
F7 P08709 1/20 0.30
MAP3K5 Q99683 1/20 0.30

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
SCHEMBL6501666 0.73 CPT1A (0.36) ATRCTSDRXRARXRBRXRG
SCHEMBL5382088 0.69 PDE8B (0.31) ATRCTSDALDH1A1PDE8BRXRA
SCHEMBL5374181 0.69 DRD1 (0.33) ATRCTSDRXRARXRBRXRG
SCHEMBL5377904 0.69 NPC1 (0.38) ATRRXRARXRBRXRGF7
SCHEMBL1513072 0.68 CMKLR1 (0.41) ATRALDH1A1LMNAMAPTRXRA
SCHEMBL6501668 0.68
SCHEMBL5372749 0.67 IRAK4 (0.35) ATRALDH1A1RXRARXRBRXRG
SCHEMBL29659533 0.65 AHR (0.39) ALDH1A1LMNAMAPTRXRARXRB
SCHEMBL18293742 0.65 AHR (0.39) ALDH1A1LMNAMAPTRXRARXRB
SCHEMBL18285201 0.65 DGAT2 (0.37) ATRALDH1A1LMNAGUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 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-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ATR 1021/4885CTSD 3305/4885PTGER1 1018/4885

“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.