SCHEMBL12263154

SCHEMBL12263154

CC(C)c1c(F)cc(C#N)cc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TRPV4 Q9HBA0 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGLN2 Q96KS0 3/20 0.32
KIF11 P52732 1/20 0.32
MET P08581 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
VCAM1 P19320 1/20 0.30
GRM5 P41594 1/20 0.30
PGR P06401 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
SCHEMBL26080843 0.88 EGLN2 (0.37) TTRALBGAASMN1; SMN2EGLN2
SCHEMBL807520 0.88 TRPV4 (0.34) TTRALBGAASMN1; SMN2TRPV4
SCHEMBL807272 0.88 MET (0.36) TTRALBGAASMN1; SMN2MET
SCHEMBL18612531 0.86 TRPV4 (0.31) TTRALBGAASMN1; SMN2TRPV4
SCHEMBL24418462 0.83 AR (0.36) METALDH1A1PGR
SCHEMBL26360496 0.83 TTR (0.34) TTRALBGAASMN1; SMN2HDAC8
SCHEMBL27847325 0.83 TTR (0.34) TTRALBGAASMN1; SMN2HDAC8
SCHEMBL22166116 0.79 CYP2A6 (0.32) TTRALBGAASMN1; SMN2ALDH1A1
SCHEMBL19304415 0.77 SLC6A3 (0.31) TTRALBCYP2A6
SCHEMBL22899690 0.74 TTR (0.38) TTRALBHDAC8MEN1KMT2A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327809-A2 TYK2 INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-02-28 EP disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-01 US disclosed
US-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-01 US disclosed
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-20210347738-A1 (TRIFLUOROMETHYL)PYRIMIDINE-2-AMINE COMPOUNDS ELI LILLY AND COMPANY 2021-11-11 US disclosed
WO-2021211408-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-10-21 WO disclosed
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
US-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME DONG-A ST CO., LTD. (KR) 2017-02-23 US disclosed
US-9464088-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-10-11 US disclosed
US-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8765734-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 US disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 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 (10 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 TTR 651/4885ALB 4545/4885GAA 173/4885
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TTR 4331/4885ALB 4819/4885GAA 1899/4885
US-20210347738-A1 (TRIFLUOROMETHYL)PYRIMIDINE-2-AMINE COMPOUNDS P2RX1, P2RX2, P2RY1 TTR 3174/4885ALB 3601/4885GAA 4682/4885
US-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES MAPT, TUBA4A, MAP4 TTR 362/4885ALB 1381/4885GAA 2098/4885
US-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME AR, SHBG, MUSK TTR 4278/4885ALB 3445/4885GAA 1677/4885
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS CNR1, CNR2, GPR18 TTR 4773/4885ALB 4339/4885GAA 4087/4885
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 TTR 4367/4885ALB 2906/4885GAA 3118/4885
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 TTR 1178/4885ALB 2363/4885GAA 770/4885
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 TTR 4367/4885ALB 2906/4885GAA 3118/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 TTR 4125/4885ALB 3353/4885GAA 3302/4885

“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.