SCHEMBL356279

SCHEMBL356279

CC(C)(C)OC(=O)Nc1nc(CCl)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
KMT2A Q03164 1/20 0.64
SIRT1 Q96EB6 1/20 0.49
PI4KB Q9UBF8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CCR2 P41597 2/20 0.43
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LCK P06239 3/20 0.41
LMNA P02545 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL1030124 0.87 PI4KB (0.50) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1
SCHEMBL2175797 0.87 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1
SCHEMBL27924482 0.86 SMN1; SMN2 (0.54) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1
SCHEMBL16123390 0.86 SIRT1 (0.52) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1
SCHEMBL9071272 0.86 SIRT1 (0.49) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1
SCHEMBL13033265 0.86 SIRT1 (0.49) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1
SCHEMBL6679893 0.86 SIRT1 (0.49) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1
SCHEMBL299175 0.84 SMN1; SMN2 (0.51) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1
SCHEMBL12742401 0.84 PTPRB (0.49) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1
SCHEMBL21228025 0.84 SIRT1 (0.48) SMN1; SMN2KMT2ASIRT1PI4KBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 CN disclosed
CN-109715637-B Glucokinase activators and methods of use thereof 百时美施贵宝公司 2022-04-05 CN disclosed
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-09-14 US disclosed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
EP-3652177-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2020-05-20 EP disclosed
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 US disclosed
CN-110997678-A Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2020-04-10 CN disclosed
US-10604541-B2 Glucokinase activators and methods of using same BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-31 US disclosed
US-20190233449-A1 GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 US disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
EP-2059522-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS Brystol-Myers Squibb Company (US) 2009-05-20 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
WO-2009015193-A1 ANTIBACTERIAL SULFONE AND SULFOXIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US disclosed
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP disclosed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO 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-10604541-B2 Glucokinase activators and methods of using same GCK, GCKR, GALK1 SMN1; SMN2 2453/4885KMT2A 1766/4885SIRT1 554/4885
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS CHKA, CHKB, NADK SMN1; SMN2 2117/4885KMT2A 1180/4885SIRT1 450/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK SMN1; SMN2 1667/4885KMT2A 1062/4885SIRT1 648/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMN1; SMN2 4710/4885KMT2A 2344/4885SIRT1 1327/4885
US-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 SMN1; SMN2 4077/4885KMT2A 3349/4885SIRT1 362/4885
US-20190233449-A1 GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCK, GCKR, GALK1 SMN1; SMN2 2453/4885KMT2A 1766/4885SIRT1 554/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 SMN1; SMN2 4664/4885KMT2A 4835/4885SIRT1 2530/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 SMN1; SMN2 4664/4885KMT2A 4835/4885SIRT1 2530/4885

“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.