SCHEMBL23100717

SCHEMBL23100717

O=C(O)N[C@H](Cc1c[nH]c2ccccc12)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.54
ICAM1 P05362 7/20 0.54
ITGAL P20701 7/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
ECE1 P42892 1/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
APAF1 O14727 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MPO P05164 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL23100719 1.00 ITGB2 (0.54) ITGB2ICAM1ITGALSMN1; SMN2ECE1
SCHEMBL23100716 0.88 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALSMN1; SMN2ECE1
SCHEMBL23100718 0.88 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALSMN1; SMN2ECE1
SCHEMBL28549237 0.84 SSTR3 (0.58) SMN1; SMN2MAPTPOLBTSHRTP53
SCHEMBL30911955 0.84 SSTR3 (0.58) SMN1; SMN2MAPTPOLBTSHRTP53
SCHEMBL23126834 0.84 SSTR3 (0.58) SMN1; SMN2MAPTPOLBTSHRTP53
SCHEMBL9940890 0.80 SNCA (0.53) ITGB2ICAM1ITGAL
SCHEMBL28528876 0.79 ADRB3 (0.54) ITGB2ICAM1ITGALSMN1; SMN2KDM4E
SCHEMBL23100757 0.77 KMT2A (0.60) ITGB2ICAM1ITGALKDM4EMAPT
SCHEMBL23100756 0.77 KMT2A (0.60) ITGB2ICAM1ITGALKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295845-A2 SOLID FORMS OF THE TARTRATE SALT OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL, PROCESS FOR THEIR PREPARATION AND METHODS OF THEIR USE IN TREATING CANCERS F. Hoffmann-La Roche AG (CH) 2023-12-27 EP disclosed
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use GENENTECH, INC. (US) 2023-10-10 US disclosed
EP-3810283-B1 SOLID FORMS OF THE TARTRATE SALT OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL, PROCESS FOR THEIR PREPARATION AND METHODS OF THEIR USE IN TREATING CANCERS HOFFMANN LA ROCHE (CH) 2023-06-14 EP disclosed
EP-3810283-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE F. Hoffmann-La Roche AG (CH) 2021-04-28 EP disclosed
US-10954234-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3- fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use GENENTECH, INC. (US) 2021-03-23 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-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use TP53, DPYD, FLI1 ITGB2 2417/4885ICAM1 4103/4885ITGAL 3649/4885
US-10954234-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3- fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use TP53, DPYD, FLI1 ITGB2 2417/4885ICAM1 4103/4885ITGAL 3649/4885

“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.