SCHEMBL1708576

SCHEMBL1708576

Cc1cc(B(O)O)cnc1N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
KHK P50053 1/20 0.40
TP53 P04637 3/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
MAPK1 P28482 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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 SCHEMBL29951158 0.98 ALDH1A1 (0.40) ALDH1A1HPGDKHKTP53CYP1A2
SCHEMBL12419405 0.84 DHODH (0.43) ALDH1A1HPGDTP53MAPTKDM4E
SCHEMBL25184755 0.83 ALDH1A1 (0.40) ALDH1A1TP53CYP1A2MAPTCYP2C19
SCHEMBL30376783 0.83 ALDH1A1 (0.40) ALDH1A1TP53CYP1A2MAPTCYP2C19
SCHEMBL20606514 0.82 MAOB (0.42) TP53MAPTKDM4EKMT2ATHRB
SCHEMBL1708597 0.82 KDM4E (0.48) TP53KDM4EOPRM1OPRL1LRRK2
SCHEMBL29953774 0.82 ALDH1A1 (0.40) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL16735244 0.80 PIK3CD (0.36) ALDH1A1HPGDKHKTP53CYP1A2
SCHEMBL28663339 0.80 ALDH1A1 (0.43) ALDH1A1HPGDKHKTP53CYP1A2
SCHEMBL14376028 0.79 ALDH1A1 (0.45) ALDH1A1HPGDKHKCYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-11931363-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2024-03-19 US disclosed
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH (CN) 2023-02-02 US disclosed
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH (CN) 2023-02-02 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11207325-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2021-12-28 US disclosed
US-11207325-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2021-12-28 US disclosed
US-20200323859-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2020-10-15 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 WO disclosed
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 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 (9 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-11931363-B2 Triazolopyrimidine compounds and uses thereof EZH2, DOT1L, EED ALDH1A1 529/4885HPGD 3499/4885KHK 3904/4885
US-11207325-B2 Triazolopyrimidine compounds and uses thereof EZH2, DOT1L, EED ALDH1A1 529/4885HPGD 3499/4885KHK 3904/4885
US-20200323859-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED ALDH1A1 529/4885HPGD 3499/4885KHK 3904/4885
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ALDH1A1 354/4885HPGD 189/4885KHK 1371/4885
US-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 ALDH1A1 3067/4885HPGD 905/4885KHK 3758/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 ALDH1A1 1380/4885HPGD 1893/4885KHK 4253/4885
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED ALDH1A1 529/4885HPGD 3499/4885KHK 3904/4885
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED ALDH1A1 529/4885HPGD 3499/4885KHK 3904/4885
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R ALDH1A1 3930/4885HPGD 3215/4885KHK 3593/4885

“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.