SCHEMBL358326

SCHEMBL358326

COc1c(N)cccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 3/20 0.52
ADRA2B P18089 1/20 0.52
PTGS1 P23219 1/20 0.52
CYP3A4 P08684 4/20 0.48
TSHR P16473 3/20 0.48
PIK3CA P42336 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CD44 P16070 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
Hydrochloric Acid SCHEMBL4332744 0.97 ALDH1A1 (0.50) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL31607690 0.87 ALDH1A1 (0.46) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL2203933 0.87 ALDH1A1 (0.46) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL1709964 0.85 CD44 (0.52) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL210128 0.85 ALDH1A1 (0.62) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL110638 0.83 ALDH1A1 (0.52) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL11652551 0.83 ALDH1A1 (0.54) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL19279296 0.83 ALDH1A1 (0.43) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL1188351 0.83 ALDH1A1 (0.43) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
Ethane SCHEMBL10816003 0.83 ALDH1A1 (0.60) ALDH1A1TDP1ADRA2BPTGS1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118931670-A Preparation method of fluorescent whitening agent 奥仕集团有限公司 2024-11-12 CN claimed
EP-2950773-B1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE OREAL (FR) 2019-03-13 EP claimed
CN-101256315-B Liquid crystal aligning agent and liquid crystal alignment layer formed using the same CHEIL IND INC 2010-11-24 CN claimed
CN-101256315-A Liquid crystal aligning agent and liquid crystal alignment layer formed using the same CHEIL IND INC (KR) 2008-09-03 CN claimed
CN-118931670-A Preparation method of fluorescent whitening agent 奥仕集团有限公司 2024-11-12 CN disclosed
CN-116217548-A Amide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-06 CN disclosed
EP-1296540-B1 DISPLAY TORAY INDUSTRIES (JP) 2019-10-16 EP disclosed
EP-2950773-B1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE OREAL (FR) 2019-03-13 EP disclosed
EP-2950773-B1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE OREAL (FR) 2019-03-13 EP disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-0718666-A1 Liquid crystal-aligning agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-06-26 EP disclosed
EP-0333730-B1 PROCESS FOR PRODUCING NON-THROMBOGENIC SUBSTRATES KELLER, Ruprecht (DE) 1992-10-21 EP disclosed
US-5071973-A PROCESS FOR PREPARING OF NON-THROMBOGENIC SUBSTRATES KELLER RUPRECHT (DE) 1991-12-10 US disclosed
EP-0333730-A1 PROCESS FOR PRODUCING NON-THROMBOGENIC SUBSTRATES. KELLER RUPRECHT (DE) 1989-09-27 EP disclosed
EP-0279016-A2 Powdered hair dye HOYU CO., LTD. (JP) 1988-08-24 EP disclosed
WO-1988003813-A1 PROCESS FOR PRODUCING NON-THROMBOGENIC SUBSTRATES KELLER RUPRECHT (DE) 1988-06-02 WO disclosed
US-4270918-A METALLIZED TRIAZINE-FUNCTIONAL MONOAZO DYE CIBA-GEIGY CORPORATION (US) 1981-06-02 US disclosed
US-4165319-A Isoindoline pigments CIBA-GEIGY CORPORATION (US) 1979-08-21 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 (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-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885TDP1 178/4885ADRA2B 1292/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885TDP1 178/4885ADRA2B 1292/4885

“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.