SCHEMBL18157866

SCHEMBL18157866

CC1c2ccccc2-c2cncn21

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.58
TDO2 P48775 8/20 0.58
CYP3A4 P08684 1/20 0.48

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
SCHEMBL28511349 0.80 IDO1 (0.52) IDO1TDO2
SCHEMBL19749273 0.80 IDO1 (0.68) IDO1TDO2CYP3A4
SCHEMBL20129560 0.80 IDO1 (0.62) IDO1TDO2
SCHEMBL20602661 0.78 IDO1 (0.51) IDO1TDO2
SCHEMBL20621024 0.77 IDO1 (0.62) IDO1TDO2CYP3A4
SCHEMBL20621023 0.77 IDO1 (0.62) IDO1TDO2CYP3A4
SCHEMBL20602751 0.77 IDO1 (0.62) IDO1TDO2CYP3A4
SCHEMBL20638052 0.77 IDO1 (0.67) IDO1TDO2CYP3A4
SCHEMBL20638213 0.77 IDO1 (0.67) IDO1TDO2CYP3A4
SCHEMBL20638087 0.77 IDO1 (0.67) IDO1TDO2CYP3A4

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-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-11021495-B2 Compositions and methods for inhibiting arginase activity CALITHERA BIOSCIENCES, INC. (US) 2021-06-01 US disclosed
US-20190225618-A1 IDO Inhibitors MAUTINO MARIO (US) 2019-07-25 US disclosed
WO-2016165613-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2016-10-20 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 (3 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-20190225618-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885TDO2 4/4885CYP3A4 633/4885
US-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 IDO1 1/4885TDO2 2/4885CYP3A4 428/4885
US-11021495-B2 Compositions and methods for inhibiting arginase activity ARG1, ARG2, PRMT3 IDO1 267/4885TDO2 3477/4885CYP3A4 4033/4885

“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.