SCHEMBL1074233

SCHEMBL1074233

Cc1c(C(=O)O)cnn1-c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
NOTUM Q6P988 1/20 0.53
MAPK14 Q16539 1/20 0.52
CCR1 P32246 1/20 0.50
SLC9A1 P19634 1/20 0.50
SLC9A2 Q9UBY0 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PTPN1 P18031 1/20 0.49
PTGS2 P35354 2/20 0.49
HSD11B1 P28845 1/20 0.48
HPGD P15428 1/20 0.48
PKM P14618 1/20 0.48
NR4A3 Q92570 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6224549 0.87 MAPK1 (0.71) MAPK1NPC1RAB9AMAPTALDH1A1
SCHEMBL6052256 0.87 MAPK1 (0.61) MAPK1NPC1RAB9AMAPTALDH1A1
SCHEMBL6052522 0.86 MAPK1 (0.53) MAPK1NPC1RAB9AMAPTALDH1A1
SCHEMBL27692438 0.85 HSD11B1 (0.62) MAPK1NPC1RAB9AMAPTSLC9A1
SCHEMBL27405 0.85 MAPK1 (0.78) MAPK1NPC1RAB9AMAPTSLC9A1
SCHEMBL1420155 0.84 KMT2A (0.61) MAPK1NPC1RAB9AALDH1A1NOTUM
SCHEMBL6052319 0.84 MAPK1 (0.58) MAPK1NPC1RAB9AMAPTSLC9A1
SCHEMBL2397695 0.84 MAPK1 (0.58) MAPK1NPC1RAB9AMAPTSLC9A1
SCHEMBL13505849 0.84 MAPK1 (0.58) MAPK1NPC1RAB9AMAPTALDH1A1
SCHEMBL15167464 0.83 MAPK1 (0.54) MAPK1NPC1RAB9AMAPTSLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 US disclosed
US-20180148447-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE IGNYTA, INC. (US) 2018-05-31 US disclosed
EP-3309160-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE Ignyta, Inc. (US) 2018-04-18 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO disclosed
CN-1230421-C Amide compound and pharmaceutical use thereof MITSUBISHI CHEM CORP (JP) 2005-12-07 CN disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 US disclosed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP 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 (11 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPK1 128/4885NPC1 2880/4885RAB9A 761/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPK1 128/4885NPC1 2880/4885RAB9A 761/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPK1 118/4885NPC1 2910/4885RAB9A 768/4885
US-20180148447-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE AXL, FLT3, ERBB2 MAPK1 121/4885NPC1 4573/4885RAB9A 1736/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 MAPK1 1878/4885NPC1 3322/4885RAB9A 3176/4885
US-10344026-B2 Compositions and methods of targeting mutant K-ras KRAS, NRAS, HRAS MAPK1 633/4885NPC1 2166/4885RAB9A 57/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPK1 128/4885NPC1 2880/4885RAB9A 761/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE MAPK1 4290/4885NPC1 333/4885RAB9A 3129/4885
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS MAPK1 633/4885NPC1 2166/4885RAB9A 57/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPK1 128/4885NPC1 2880/4885RAB9A 761/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO MAPK1 128/4885NPC1 2880/4885RAB9A 761/4885

“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.