SCHEMBL6920523

SCHEMBL6920523

Cc1cnn(CC2CC2(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
PLAA Q9Y263 1/20 0.36
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
TYK2 P29597 3/20 0.34
CRHR1 P34998 1/20 0.34
GRM2 Q14416 3/20 0.33
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
JAK3 P52333 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
SCHEMBL19004936 1.00 ALPI (0.36) ALPIALPGPLAAJAK2JAK1
SCHEMBL19004934 0.84 ALPI (0.37) ALPIALPGPLAAJAK2JAK1
SCHEMBL23762954 0.81 CRHR1 (0.38) ALPIALPGPLAAJAK2JAK1
SCHEMBL12090082 0.80 TBK1 (0.33) JAK2JAK1TYK2IRAK4
SCHEMBL19313539 0.79 MPO (0.31) JAK2JAK1TYK2
SCHEMBL18985789 0.74 FFAR1 (0.53) IRAK4
SCHEMBL6936894 0.74 CRHR1 (0.46) ALPIALPGPLAAJAK2JAK1
SCHEMBL19668107 0.73 LRRK2 (0.34) GRM2
SCHEMBL19004902 0.72 PIK3CD (0.40)
SCHEMBL19005064 0.71 ALPI (0.35) ALPIALPGPLAAJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
EP-2493889-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-06 EP disclosed
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV 2012-12-27 US disclosed
US-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV 2012-12-27 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20120220581-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN-CILAG, S.A. (ES) 2012-08-30 US disclosed
US-20120220581-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN-CILAG, S.A. (ES) 2012-08-30 US disclosed
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PASTOR-FERNANDEZ JOAQUIN 2011-11-03 US disclosed
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PASTOR-FERNANDEZ JOAQUIN 2011-11-03 US disclosed
WO-2011110545-A1 IMIDAZO [1, 2 -A] PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV (BE) 2011-09-15 WO disclosed
WO-2011051342-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 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 (8 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-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES PDE12, PDE10A, PDE5A ALPI 468/4885ALPG 1541/4885PLAA 596/4885
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALPI 986/4885ALPG 3355/4885PLAA 4369/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALPI 986/4885ALPG 3355/4885PLAA 4369/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALPI 1598/4885ALPG 3977/4885PLAA 4430/4885
US-20120220581-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A ALPI 368/4885ALPG 1647/4885PLAA 365/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALPI 986/4885ALPG 3355/4885PLAA 4369/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALPI 986/4885ALPG 3355/4885PLAA 4369/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A ALPI 368/4885ALPG 1647/4885PLAA 365/4885

“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.