SCHEMBL5650325

SCHEMBL5650325

COc1ccc(-c2nn(C3CCCCO3)c3ccc(-c4n[nH]c(N(C)C)n4)cc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
GAA P10253 1/20 0.35
ATR Q13535 2/20 0.33
CMKLR1 Q99788 1/20 0.33
AURKA O14965 1/20 0.33
RET P07949 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
MERTK Q12866 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL5385701 0.88 ADORA2A (0.39) ALDH1A1HSD17B10MEN1KMT2AUSP2
SCHEMBL5379551 0.79 USP2 (0.39) ALDH1A1HSD17B10USP2CYP1A2CYP3A4
SCHEMBL5379711 0.78 PRKDC (0.40) ALDH1A1HSD17B10GAAATRCMKLR1
SCHEMBL5383853 0.76 PTPN11 (0.47) ALDH1A1MEN1KMT2AGAACMKLR1
SCHEMBL4079169 0.74 KDM4E (0.44) ALDH1A1HSD17B10CMKLR1SRCRXRA
SCHEMBL5378639 0.74 KDM4E (0.45) ALDH1A1HSD17B10MEN1KMT2AUSP2
SCHEMBL5819232 0.74 KDM4E (0.43) ALDH1A1HSD17B10CMKLR1SRCRXRA
Potassium Ion SCHEMBL5819229 0.74 KDM4E (0.43) ALDH1A1HSD17B10CMKLR1SRCCASR
SCHEMBL4094652 0.74 RAB9A (0.37) ALDH1A1HSD17B10GAAATRCMKLR1
SCHEMBL9904165 0.74 CYP11B1 (0.39) CYP1A2CYP3A4ATRRXRARXRB

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 ALDH1A1 2864/4885HSD17B10 3346/4885MEN1 4232/4885

“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.