SCHEMBL6069348

SCHEMBL6069348

NCCNc1ccc(C(O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
PTH1R Q03431 2/20 0.38
GCGR P47871 5/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
DPP4 P27487 1/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAPT P10636 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 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
SCHEMBL6069353 0.74 PLA2G1B (0.39) PTH1RGCGRCYP1A2CYP3A4CYP2D6
SCHEMBL477421 0.71 IDO1 (0.56) IDO1TDO2CYP1A2CYP3A4CYP2D6
SCHEMBL3056107 0.65 MAPT (0.54) IDO1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6068869 0.65 CYP2A13 (0.56) KMT2AMEN1MAPTLMNAMAPK1
Anthraquinone SCHEMBL2033678 0.64 TERT (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL291122 0.64 TERT (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28220955 0.64 TYR (0.43) IDO1TDO2CYP1A2CYP3A4CYP2D6
SCHEMBL7283425 0.63 CAMK2D (0.57) IDO1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10910157 0.63 TERT (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11639238 0.63 IDO1 (0.46) IDO1TDO2CYP1A2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989382-B2 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-01-24 US disclosed
EP-1556355-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-07-27 EP disclosed
US-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2004-07-15 US disclosed
WO-2004037791-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-05-06 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-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP IDO1 1572/4885TDO2 2062/4885PTH1R 4376/4885

“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.