SCHEMBL19987496

SCHEMBL19987496

SSc1cnc(OCC2CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.36
ACHE P22303 1/20 0.32
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL19464691 0.79 ACACB (0.38) ACACBACHEPARP15PARP10PARP2
SCHEMBL9931055 0.75 ACACB (0.38) ACACBACHEPARP15PARP10PARP2
SCHEMBL18122046 0.75 ACACB (0.41) ACACBPARP15PARP10PARP2
SCHEMBL19987508 0.72 NQO1 (0.32) ACACB
SCHEMBL12701418 0.72 ACACB (0.39) ACACBACHEPARP15PARP10PARP2
SCHEMBL18118645 0.72 EP300 (0.40) ACACB
SCHEMBL20732648 0.72 TDP1 (0.45) ACACB
SCHEMBL19987498 0.72 PARP15 (0.50) PARP15PARP10PARP2
SCHEMBL18112746 0.71 GRIN2B (0.44) ACACBPARP15PARP10PARP2
SCHEMBL18120349 0.70 EP300 (0.41) ACACB

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 ACACB 347/4885ACHE 904/4885PARP15 958/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT ACACB 347/4885ACHE 904/4885PARP15 958/4885

“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.