SCHEMBL9621997

SCHEMBL9621997

COc1ccc(Br)cc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
GFER P55789 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 3/20 0.52
STAT3 P40763 1/20 0.51
KDM4E B2RXH2 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
DGAT1 O75907 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
SIK1 P57059 1/20 0.48
SIK2 Q9H0K1 1/20 0.48
SIK3 Q9Y2K2 1/20 0.48
PARP15 Q460N3 1/20 0.48
KMT2A Q03164 3/20 0.47

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
SCHEMBL423775 0.85 PARP15 (0.58) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL1221627 0.85 POLB (0.63) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL30362007 0.85 POLB (0.63) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL1821903 0.83 PTGDR2 (0.63) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL27134662 0.83 POLB (0.61) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL3917916 0.81 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL392403 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL477809 0.81 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL30362156 0.81 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL30361998 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MUTABILIS (FR) 2019-05-28 US 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
EP-3110803-B1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2018-07-11 EP disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2017-01-19 US disclosed
EP-3110803-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Mutabilis (FR) 2017-01-04 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
WO-2011022393-A2 PHOSPHATIDYLCHOLINE TRANSFER PROTEIN INHIBITORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-02-24 WO disclosed
EP-0199973-B1 PROCESS FOR THE PRODUCTION ON THE FIBRE OF WATER INSOLUBLE AZO DYES HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-15 EP disclosed
EP-0300390-B1 TRIFLUOROMETHYL-ALKOXY-ANILIN, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE ICE-COLOUR TECHNIQUE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
EP-0362725-A1 Process for producing water insoluble azo dyes on the fibre according to the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 EP disclosed
EP-0362729-A1 Process for producing water insoluble azo dyes on the fibre HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 EP disclosed
US-4906250-A Process for the preparation of water-insoluble azo dyes on the fiber: impregnating with coupling component and treating with diazonium salt of 4-chloro-2,5-dialkoxy aniline HOECHST AKTIENGESELLSCHAFT, A CORP. OF THE FEDERAL REPUBLIC OF GERMANY (DE) 1990-03-06 US disclosed
EP-0312003-A2 Process of manufacturing water insolubles azodyes on the fibre HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-19 EP disclosed
EP-0300390-A1 Trifluoromethyl-alkoxy-anilin, process for their preparation and their use in the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 EP disclosed
US-4696675-A Process for preparing water-insoluble blue azo dyes on the fiber: hydroxynaphthoic amide and diazotized di-alkoxy-benzidine HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-29 US disclosed
EP-0199973-A2 Process for the production on the fibre of water insoluble azo dyes HOECHST AKTIENGESELLSCHAFT (DE) 1986-11-05 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885SMN1; SMN2 1363/4885MAPT 1941/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885SMN1; SMN2 1363/4885MAPT 1941/4885
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MSR1, IFNAR1, NOD2 ALDH1A1 2744/4885SMN1; SMN2 4422/4885MAPT 4761/4885
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MSR1, IFNAR1, NOD2 ALDH1A1 2744/4885SMN1; SMN2 4422/4885MAPT 4761/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885SMN1; SMN2 1363/4885MAPT 1941/4885

“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.