SCHEMBL8246728

SCHEMBL8246728

CC(C)(C)Nc1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.40
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
PLK4 O00444 1/20 0.33
SOS1 Q07889 1/20 0.31
IDO1 P14902 2/20 0.31
ACLY P53396 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
SCHEMBL12135857 0.86 RAPGEF4 (0.44) RAPGEF4SLC6A3ALDH1A1POLBGAA
SCHEMBL20620249 0.84 RAPGEF4 (0.49) RAPGEF4ACLY
SCHEMBL21571898 0.83 EGFR (0.40) RAPGEF4ALDH1A1
SCHEMBL12203150 0.80 SMN1; SMN2 (0.32) IDO1
SCHEMBL12403860 0.77 RAPGEF4 (0.42) RAPGEF4
SCHEMBL9905241 0.77 GAA (0.53) RAPGEF4ALDH1A1POLBGAANPSR1
SCHEMBL25251371 0.75 RAPGEF4 (0.34) RAPGEF4SLC6A3
SCHEMBL8237552 0.75 PIK3CA (0.35) ALDH1A1POLBGAANPSR1PLK4
SCHEMBL1011188 0.74 ALDH1A1 (0.44) ALDH1A1POLBGAA
SCHEMBL19194707 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689331-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-23 US disclosed
US-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-11-19 US disclosed
US-20190002402-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-01-03 US disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 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 (5 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-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses TYK2, IL2, JAK3 RAPGEF4 3690/4885SLC6A3 3796/4885ALDH1A1 3639/4885
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 RAPGEF4 677/4885SLC6A3 3581/4885ALDH1A1 3252/4885
US-20190002402-A1 IDO INHIBITORS IDO1, IDO2, INMT RAPGEF4 4382/4885SLC6A3 2394/4885ALDH1A1 707/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 RAPGEF4 677/4885SLC6A3 3581/4885ALDH1A1 3252/4885
US-10689331-B2 IDO inhibitors IDO1, IDO2, INMT RAPGEF4 4382/4885SLC6A3 2394/4885ALDH1A1 707/4885

“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.