SCHEMBL19987523

SCHEMBL19987523

CCCCC(CC)c1cnc(N(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
GRM5 P41594 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19464666 0.88 NR1I2 (0.38) NR1I2GRM5KDM4EALDH1A1ALOX15
SCHEMBL19987499 0.76 NR1I2 (0.36) NR1I2
SCHEMBL19965679 0.75 GPR84 (0.35) NR1I2GRM5KDM4EALDH1A1ALOX15
SCHEMBL21784093 0.72 NR1I2 (0.45) NR1I2
SCHEMBL18431523 0.71 NR1I2 (0.41) NR1I2KCNH2MAPT
SCHEMBL24804934 0.70 NR1I2 (0.43) NR1I2MAPTNPSR1
SCHEMBL19464598 0.70 NR1I2 (0.43) NR1I2MAPTNPSR1
SCHEMBL26169679 0.69 NR1I2 (0.39) NR1I2KDM4EALDH1A1
SCHEMBL22222931 0.68 NR1I2 (0.47) NR1I2
SCHEMBL19464626 0.68 NR1I2 (0.37) NR1I2

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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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 (2 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT NR1I2 1266/4885GRM5 1099/4885KDM4E 375/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT NR1I2 1266/4885GRM5 1099/4885KDM4E 375/4885

“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.