SCHEMBL20129573

SCHEMBL20129573

CC(=O)CC1c2ccccc2-n2cncc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.67
TDO2 P48775 2/20 0.66
EGFR P00533 1/20 0.35
CDC25A P30304 1/20 0.34
ALDH1A1 P00352 4/20 0.34
NOTUM Q6P988 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL17651949 0.89 IDO1 (0.67) IDO1TDO2EGFRCDC25A
SCHEMBL16135431 0.85 IDO1 (0.63) IDO1TDO2EGFRALDH1A1MEN1
SCHEMBL16135366 0.83 IDO1 (0.61) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL16135330 0.82 IDO1 (0.57) IDO1TDO2ALDH1A1
SCHEMBL16135335 0.82 IDO1 (0.98) IDO1TDO2
SCHEMBL17651958 0.81 TDO2 (0.63) IDO1TDO2
SCHEMBL17665359 0.81 IDO1 (0.68) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL16135400 0.81 IDO1 (1.00) IDO1TDO2
SCHEMBL16135373 0.81 IDO1 (0.61) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL17665360 0.80 IDO1 (0.57) IDO1TDO2EGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127418-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2018-05-10 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-20180127418-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS IDO1, IDO2, TDO2 IDO1 1/4885TDO2 3/4885EGFR 2995/4885

“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.