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Sugi Predict / Compounds / SCHEMBL1349410

SCHEMBL1349410

SCHEMBL1349410

O=C(CC(=O)C(F)(F)F)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 3/20 0.59
▸ PLOD3 O60568 2/20 0.53
▸ PLOD1 Q02809 2/20 0.53
▸ KMO O15229 3/20 0.49
▸ TSHR P16473 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD11B1 P28845 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44

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
SCHEMBL1924889 0.87 PLOD2 (0.60) PLOD2PLOD3PLOD1TSHRHTT
SCHEMBL1348683 0.85 PLOD2 (0.54) PLOD2PLOD3PLOD1TSHRMEN1
SCHEMBL9348115 0.84 KMO (0.44) PLOD2KMOTSHRPOLBHPGD
SCHEMBL9015106 0.83 TSHR (0.61) KMOTSHRPOLBHPGDHTT
SCHEMBL6166658 0.82 PLOD2 (0.50) PLOD2PLOD3PLOD1POLBHTT
SCHEMBL584065 0.80 PLOD2 (0.70) PLOD2PLOD3PLOD1TSHRPOLB
SCHEMBL29623539 0.79 S1PR1 (0.48) PLOD2PLOD3PLOD1HAO1
SCHEMBL22804566 0.79 S1PR1 (0.48) PLOD2PLOD3PLOD1HAO1
SCHEMBL1927100 0.78 ERCC5 (0.61) PLOD2PLOD3PLOD1HPGDHTT
SCHEMBL1925141 0.77 PLOD2 (0.66) PLOD2PLOD3PLOD1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 — — EP disclosed
US-8063048-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 — — US disclosed
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 — — EP disclosed
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2010-08-19 — — US disclosed
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 — — US disclosed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 — — EP disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 — — US disclosed
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2008-12-04 — — US disclosed
US-7446113-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-04 — — US disclosed
EP-1377289-A4 HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE JB CHEMICALS & PHARMACEUTICALS (IN) 2008-09-10 — — EP disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 — — EP disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 — — US disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 — — US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 — — WO disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 — — US disclosed
EP-1377289-A2 HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE J.B. Chemicals & Pharmaceuticals Ltd. (IN) 2004-01-07 — — EP disclosed
US-20030176450-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2003-09-18 — — US disclosed
WO-2002074235-A2 HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE J.B. CHEMICALS & PHARMACEUTICALS LTD (IN) 2002-09-26 — — WO disclosed
US-6403629-B2 1-(P-(METHYLSULFONAMIDO)PHENYL)-3-TRIFLUOROMETHYL-5-PHENYLPYRA ZOLONE AND DERIVATIVES; ANTIINFLAMMATORY AGENTS J.B. CHEMICAL AND PHARMACEUTICALS LIMITED (IN) 2002-06-11 — — US disclosed
US-20010047023-A1 New Heterocyclic compounds for therapeutic use J.B. CHEMICALS & PHARMACEUTICALS LIMITED 2001-11-29 — — 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 PLOD2 3754/4885PLOD3 2005/4885PLOD1 3642/4885
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 PLOD2 4068/4885PLOD3 4545/4885PLOD1 3581/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 PLOD2 4068/4885PLOD3 4545/4885PLOD1 3581/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PLOD2 3738/4885PLOD3 3474/4885PLOD1 3848/4885
US-20030176450-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 PLOD2 3754/4885PLOD3 2005/4885PLOD1 3642/4885
US-20010047023-A1 New Heterocyclic compounds for therapeutic use AADAC, NAT1, FPR1 PLOD2 2358/4885PLOD3 344/4885PLOD1 2928/4885

“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.