Sugi Predict

Sugi Predict / Compounds / SCHEMBL124130

SCHEMBL124130

SCHEMBL124130

CCc1nn(-c2ccccc2)cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.58
▸ KMT2A Q03164 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ NLRP3 Q96P20 1/20 0.51
▸ LMNA P02545 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ ENPP3 O14638 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL14435489 0.84 PTGS2 (0.58) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL716404 0.83 KMT2A (0.54) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL718659 0.82 MEN1 (0.56) PTGS2KMT2AALDH1A1POLBMEN1
SCHEMBL719353 0.82 NOTUM (0.48) PTGS2KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL717894 0.82 MEN1 (0.50) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL717946 0.81 PTGS2 (0.55) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL719698 0.81 PTGS2 (0.40) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL14905703 0.78 POLB (0.40) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL719535 0.78 PTGS2 (0.63) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL18191175 0.77 RAB9A (0.40) PTGS2KMT2AALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101861312-B 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists LILLY CO ELI 2014-09-03 — — CN disclosed
CN-101821257-B 5-HT7 receptor antagonists LILLY CO ELI 2013-05-22 — — CN disclosed
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 — — EP disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 — — US disclosed
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 — — EP disclosed
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 — — EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 — — US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 — — US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 — — US disclosed
CN-101861312-A 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists LILLY CO ELI 2010-10-13 — — CN disclosed
CN-101821257-A 5-HT 7Receptor antagonist LILLY CO ELI 2010-09-01 — — CN disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 — — US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 — — US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 — — US disclosed
EP-2201002-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-30 — — EP disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 — — US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 — — EP disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 — — WO disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 — — WO disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 — — 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 (2 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C PTGS2 480/4885KMT2A 2688/4885ALDH1A1 2150/4885
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 PTGS2 386/4885KMT2A 2273/4885ALDH1A1 1205/4885

“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.