SCHEMBL22189146

SCHEMBL22189146

CNc1ncccc1C=c1c2ccccc2c2cncn12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
GABRA5 P31644 4/20 0.34
SRC P12931 10/20 0.34
LCK P06239 3/20 0.33
GABRA1 P14867 2/20 0.32
BRD9 Q9H8M2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL20620953 1.00 IDO1 (0.40) IDO1GABRA5SRCLCKGABRA1
SCHEMBL20621027 1.00 IDO1 (0.40) IDO1GABRA5SRCLCKGABRA1
SCHEMBL22200847 0.81 IDO1 (0.42) IDO1GABRA5SRCLCKGABRA1
SCHEMBL20621275 0.81 IDO1 (0.42) IDO1GABRA5SRCLCKGABRA1
SCHEMBL19749271 0.71 IDO1 (0.55) IDO1GABRA5SRCLCKGABRA1
SCHEMBL13469847 0.65 IDO1 (0.51) IDO1GABRA5LCKGABRA1BRD9
SCHEMBL22567191 0.64 GABRA5 (0.43) IDO1GABRA5LCKGABRA1
SCHEMBL21284326 0.64 KDM4E (0.36)
SCHEMBL12521568 0.62 KDM4E (0.39)
SCHEMBL31023942 0.62 TRIM24 (0.52) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132507-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2024-04-25 US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-20200216456-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2020-07-09 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 (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-20240132507-A1 TDO2 and IDO1 Inhibitors IDO1, TDO2, IDO2 IDO1 1/4885GABRA5 2939/4885SRC 1047/4885
US-20200216456-A1 TDO2 and IDO1 Inhibitors IDO1, IDO2, TDO2 IDO1 1/4885GABRA5 2963/4885SRC 1090/4885
US-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 IDO1 1/4885GABRA5 2939/4885SRC 1047/4885

“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.