SCHEMBL128024

SCHEMBL128024

Cc1cnc(C(F)(F)F)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.44
GLP1R P43220 1/20 0.36
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDR P35968 1/20 0.32
FDPS P14324 1/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A9 P48067 1/20 0.30
COMT P21964 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL26066985 0.84 NOS1 (0.43) NOS1GLP1RCNR2ALDH1A1KDR
SCHEMBL26195406 0.84 NOS1 (0.43) NOS1GLP1RCNR2ALDH1A1KDR
SCHEMBL129440 0.79 MLYCD (0.40) NOS1ALDH1A1FDPSTP53HTT
SCHEMBL9609561 0.78 NOS1 (0.46) NOS1CNR2KDRFDPSNPC1
SCHEMBL14151845 0.76 NOS1 (0.50) NOS1KDRFDPSNPC1RAB9A
SCHEMBL126808 0.74 NOS1 (0.43) NOS1CNR2KDRFDPSNPC1
SCHEMBL31078390 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18071029 0.73 ALDH1A1 (0.44) NOS1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL18179469 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18256809 0.73 NOS1 (0.38) NOS1GLP1RCNR2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-21 US disclosed
US-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-21 US disclosed
WO-2023108108-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
WO-2023108103-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
US-11667634-B2 Inhibitors of RAF kinases KINNATE BIOPHARMA INC. (US) 2023-06-06 US disclosed
WO-2023076219-A2 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA, INC. (US) 2023-05-04 WO disclosed
US-20110160061-A1 METHOD FOR IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2011-06-30 US disclosed
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
US-5418247-A 3,4,N-trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1995-05-23 US disclosed
US-5395845-A Insecticides ROUSSEL-UCLAF (FR) 1995-03-07 US disclosed
US-5338856-A 3,4-N,trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1994-08-16 US disclosed
US-5324837-A 3,4-disubstituted-4,5-dihydro-1H-pyrazoles and a method of preparation DOWELANCO (US) 1994-06-28 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 (9 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-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF TRPA1, DDT, HPD NOS1 675/4885GLP1R 846/4885CNR2 1039/4885
US-11667634-B2 Inhibitors of RAF kinases BRAF, RAF1, NRAS NOS1 4761/4885GLP1R 1740/4885CNR2 2312/4885
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 NOS1 2205/4885GLP1R 4227/4885CNR2 3896/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC NOS1 616/4885GLP1R 1276/4885CNR2 1542/4885
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D NOS1 521/4885GLP1R 2449/4885CNR2 1614/4885
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS ASGR1, MSR1, LDLR NOS1 2351/4885GLP1R 877/4885CNR2 1779/4885
US-20110160061-A1 METHOD FOR IMPROVING PLANT GROWTH GSS, RRS1, MTR NOS1 267/4885GLP1R 4709/4885CNR2 3668/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 NOS1 1985/4885GLP1R 4116/4885CNR2 4157/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 NOS1 1066/4885GLP1R 2931/4885CNR2 17/4885

“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.