SCHEMBL5515841

SCHEMBL5515841

CSc1cccc(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CYP3A4 P08684 6/20 0.42
TSHR P16473 4/20 0.42
PIK3CA P42336 1/20 0.42
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL10862658 0.87 MEN1 (0.38) CD44MEN1KMT2AMAPTNPSR1
SCHEMBL3789587 0.81 ALDH1A1 (0.52) CD44MEN1KMT2AMAPTNPSR1
SCHEMBL111389 0.79
SCHEMBL2426196 0.79 MEN1 (0.48) CD44MEN1KMT2AMAPTNPSR1
SCHEMBL3550151 0.79 MEN1 (0.62) CD44MEN1KMT2AMAPTNPSR1
SCHEMBL9180527 0.78 MEN1 (0.42) CD44MEN1KMT2AMAPTNPSR1
SCHEMBL30908373 0.78 CD44 (0.52) CD44MAPTCYP3A4TSHRPIK3CA
SCHEMBL7463021 0.78 CYP3A4 (0.59) CD44MEN1KMT2AMAPTNPSR1
SCHEMBL10423683 0.78 CD44 (0.52) CD44MAPTCYP3A4TSHRPIK3CA
Hydrochloric Acid SCHEMBL8837519 0.77 MEN1 (0.59) MEN1KMT2AMAPTNPSR1APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255101-A1 Tetradentate Metal Complexes with Carbon Group Bridging Ligands UNIV ARIZONA STATE (US) 2023-08-10 US disclosed
CN-114502672-A Coating composition PRC-迪索托国际公司 2022-05-13 CN disclosed
WO-2020059048-A1 SET COMPRISING MAIN AGENT AND CURING AGENT, WATER-RESISTANT MATERIAL, AND METHOD OF CONSTRUCTING SAME 保土谷化学工業株式会社 2020-03-26 WO disclosed
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP disclosed
EP-2991990-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2016-03-09 EP disclosed
WO-2015177367-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2015-11-26 WO disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
EP-0974576-B1 Method of producing benzamide derivatives MITSUI CHEMICALS INC (JP) 2003-11-26 EP disclosed
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation REICH SIEGFRIED HEINZ (US) 2003-07-24 US disclosed
US-6555539-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS 2003-04-29 US disclosed
EP-1250326-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2002-10-23 EP disclosed
US-6320078-B1 CONVERTING BENZOIC ACID DERIVATIVE INTO BENZOYLIMIDAZOLE DERIVATIVE, REACTING BENZOYLIMIDAZOLE DERIVATIVE WITH PHENYLENEDIAMINE DERIVATIVE TO PREPARE SELECTIVELY MONOACYLATED PHENYLENEDIAMINE DERIVATIVE MITSUI CHEMICALS, INC. (JP) 2001-11-20 US disclosed
WO-2001053268-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed
EP-0974576-A2 Method of producing benzamide derivatives Mitsui Chemicals, Inc. (JP) 2000-01-26 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 (5 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-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B CD44 347/4885MEN1 345/4885KMT2A 4646/4885
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CD44 1346/4885MEN1 3716/4885KMT2A 4636/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CD44 1346/4885MEN1 3716/4885KMT2A 4636/4885
US-20230255101-A1 Tetradentate Metal Complexes with Carbon Group Bridging Ligands STAU1, POLR1G, CLTC CD44 2912/4885MEN1 1371/4885KMT2A 4092/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 CD44 633/4885MEN1 766/4885KMT2A 3037/4885

“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.