SCHEMBL77207

SCHEMBL77207

CSc1nc(C)cc(C(F)(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 3/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
APOBEC3G Q9HC16 1/20 0.41
HTT P42858 2/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2900606 0.87 ALDH1A1 (0.44) HSP90AA1HSP90AB1ALDH1A1HSD17B10POLB
SCHEMBL13020819 0.82 POLB (0.44) HSP90AA1HSP90AB1ALDH1A1POLBL3MBTL1
SCHEMBL254039 0.80 POLB (0.44) HSP90AA1HSP90AB1ALDH1A1HSD17B10POLB
SCHEMBL602201 0.78 ALDH1A1 (0.39) HSP90AA1HSP90AB1ALDH1A1HSD17B10POLB
SCHEMBL18343685 0.78 HSP90AB1 (0.44) HSP90AA1HSP90AB1ALDH1A1HSD17B10POLB
SCHEMBL1885381 0.78 POLB (0.65) HSP90AB1ALDH1A1POLBKMT2AMEN1
SCHEMBL10698921 0.76 GAA (0.47) HSP90AA1HSP90AB1ALDH1A1HSD17B10L3MBTL1
SCHEMBL14572022 0.76 CYP2C19 (0.57) HSP90AA1HSP90AB1ALDH1A1POLBL3MBTL1
SCHEMBL602851 0.74 ALDH1A1 (0.37) HSP90AA1HSP90AB1ALDH1A1HSD17B10L3MBTL1
SCHEMBL19805930 0.74 SDHB (0.57) ALDH1A1HSD17B10POLBL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
WO-2023121378-A1 (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 엘지화학 2023-06-29 WO disclosed
US-10513523-B2 Imidazopyrazines and pyrazolopyrimidines and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2019-12-24 US disclosed
EP-3288945-B1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-18 EP disclosed
EP-2906542-B1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-20180118751-A1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
EP-3288945-A1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2018-03-07 EP disclosed
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
WO-2016176457-A1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 WO disclosed
CN-102884062-B Aminopyrimidine inhibitors of kinases 嘉世高制药公司 2016-08-03 CN disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
EP-2346856-A1 2-[1H-BENZIMIDAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AND 2-[BENZOTHIAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AS KINASE INHIBITORS Telik, Inc. (US) 2011-07-27 EP disclosed
WO-2011079274-A1 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2011-06-30 WO disclosed
WO-2011079274-A1 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2011-06-30 WO disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 US disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 US disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 WO disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (6 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-20180118751-A1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIK5, GRIN1, GRIN3A HSP90AA1 4032/4885HSP90AB1 3898/4885ALDH1A1 913/4885
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 HSP90AA1 1413/4885HSP90AB1 1350/4885ALDH1A1 1651/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB HSP90AA1 544/4885HSP90AB1 254/4885ALDH1A1 550/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF HSP90AA1 1203/4885HSP90AB1 948/4885ALDH1A1 1842/4885
US-10513523-B2 Imidazopyrazines and pyrazolopyrimidines and their use as AMPA receptor modulators GRIK5, GRIN1, GRIN3A HSP90AA1 4032/4885HSP90AB1 3898/4885ALDH1A1 913/4885
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 HSP90AA1 1671/4885HSP90AB1 1210/4885ALDH1A1 3532/4885

“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.