SCHEMBL21783997

SCHEMBL21783997

CCCC(C)c1ccncc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
LATS1 O95835 4/20 0.37
LATS2 Q9NRM7 3/20 0.37
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
AOC1 P19801 1/20 0.30
AOC3 Q16853 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
SCHEMBL20940090 0.87 RPS6KA3 (0.36) RPS6KA3LOXL2LATS1LATS2LMNA
SCHEMBL21108882 0.86 RPS6KA3 (0.36) RPS6KA3LOXL2LATS1LATS2LMNA
SCHEMBL20940108 0.85 RPS6KA3 (0.41) RPS6KA3LOXL2LATS1LATS2SMN1; SMN2
SCHEMBL14612403 0.85 RPS6KA3 (0.41) RPS6KA3LOXL2LATS1LATS2SMN1; SMN2
SCHEMBL10115538 0.85 RPS6KA3 (0.41) RPS6KA3LOXL2LATS1LATS2SMN1; SMN2
SCHEMBL23219667 0.84 LOXL2 (0.40) RPS6KA3LOXL2LATS1LATS2LMNA
SCHEMBL19003682 0.81 LOXL2 (0.38) RPS6KA3LOXL2LATS1LATS2KDM4E
SCHEMBL19133210 0.79 LMNA (0.37) LMNAMAPTMAPK1HTR2AHTR2C
SCHEMBL20621645 0.79 AOC1 (0.40) LMNAMAPTMAPK1HTR2AHTR2C
SCHEMBL24988968 0.78 LIMK1 (0.35) RPS6KA3LATS1LMNAMAPTMAPK1

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-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-30 US disclosed
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 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-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT RPS6KA3 1859/4885LOXL2 761/4885LATS1 2220/4885
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT RPS6KA3 1859/4885LOXL2 761/4885LATS1 2220/4885

“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.