SCHEMBL3110744

SCHEMBL3110744

CSc1nccc(C#Cc2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GRM5 P41594 6/20 0.45
MAPK14 Q16539 4/20 0.44
CSNK1D P48730 2/20 0.44
GRM4 Q14833 1/20 0.41
JAK3 P52333 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CSNK1E P49674 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
TRPV3 Q8NET8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5212760 0.85 ACACB (0.50) ACACBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL5799133 0.82 ACACB (0.51) ACACBALDH1A1SMN1; SMN2MAPTGRM5
SCHEMBL5211777 0.82 ACACB (0.46) ACACBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL10020219 0.79 GRM5 (0.53) ALDH1A1SMN1; SMN2LMNAGRM5GRM4
SCHEMBL708798 0.76 FFAR1 (0.56) GRM5GRM4TRPV3FFAR1
SCHEMBL5802143 0.76 ACACB (0.48) ACACB
SCHEMBL5211607 0.73 ACACB (0.42) ACACBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL709297 0.72 GRM5 (0.42) ACACBGRM5MAPK14GRM4TRPV3
SCHEMBL708817 0.72 ACACB (0.59) ACACBGRM5GRM4TRPV3
SCHEMBL13989095 0.71 FFAR4 (0.43) ACACBLMNAGAAGRM5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP disclosed
US-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US disclosed
EP-2217600-A2 FUNGICIDAL BICYCLIC PYRAZOLES E. I. du Pont de Nemours and Company (US) 2010-08-18 EP disclosed
WO-2009076440-A2 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-18 WO disclosed
WO-2006055245-A2 PROCESS FOR PREPARING PYRAZOLOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 WO disclosed
US-6787555-B2 SUCH AS 4-(4-FLUOROPHENYL)-5-(2-PHENYLMETHYLAMINO)PYRIMIDIN-4-YL)-1-ETHOXYMETHYL -(1,2,3)TRIAZOLE FOR INHIBITION OF RELEASE OF INFLAMMATORY INTERLEUKINS; FOR TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-07 US disclosed
US-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 US disclosed
EP-1392681-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2004-03-03 EP disclosed
EP-1383759-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY The Procter & Gamble Company (US) 2004-01-28 EP disclosed
US-20030100558-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-05-29 US disclosed
US-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-01-16 US disclosed
WO-2002088108-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2002-11-07 WO disclosed
WO-2002088113-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2002-11-07 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 (3 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-20030100558-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 ACACB 4295/4885ALDH1A1 289/4885SMN1; SMN2 4100/4885
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES CYP1B1, CBR1, CYP1A1 ACACB 3331/4885ALDH1A1 458/4885SMN1; SMN2 3196/4885
US-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 ACACB 4295/4885ALDH1A1 289/4885SMN1; SMN2 4100/4885

“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.