SCHEMBL2656947

SCHEMBL2656947

Cc1cc(Br)cc(C#N)c1N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRB2 P07550 4/20 0.35
KDM4E B2RXH2 3/20 0.33
XDH P47989 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 1/20 0.32
GPR35 Q9HC97 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL9478745 0.84 XDH (0.37) ALDH1A1ADRB2KDM4EXDHMAPT
SCHEMBL25768539 0.78 TSHR (0.38) TSHRALDH1A1GPR35MAOAMAOB
SCHEMBL29582221 0.78 ADRB2 (0.43) TSHRCYP3A4TDP1ADRB2XDH
SCHEMBL6589859 0.78 KDM4E (0.41) TSHRALDH1A1CYP3A4TP53TDP1
SCHEMBL18343829 0.78 XDH (0.34) ALDH1A1CYP3A4ADRB2KDM4EXDH
SCHEMBL144243 0.78 ADRB2 (0.43) TSHRCYP3A4TDP1ADRB2XDH
SCHEMBL11685893 0.77 ALDH1A1 (0.37) TSHRALDH1A1CYP3A4TP53TDP1
SCHEMBL146892 0.77 ALDH1A1 (0.58) TSHRALDH1A1CYP3A4TP53TDP1
SCHEMBL31287357 0.75 TTR (0.39) TSHRALDH1A1CYP3A4TDP1KDM4E
SCHEMBL14321234 0.75 TSHR (0.35) TSHRGPR35MAOAMAOBEGLN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2025-07-31 US disclosed
CN-119137118-A Antagonists of adenosine receptors 阿道尔克斯治疗有限公司 2024-12-13 CN disclosed
EP-4469452-A1 ANTAGONIST OF ADENOSINE RECEPTORS Adorx therapeutics Limited (GB) 2024-12-04 EP disclosed
WO-2023144559-A1 ANTAGONIST OF ADENOSINE RECEPTORS AdoRx Therapeutics Limited (GB) 2023-08-03 WO disclosed
CN-110655509-B 2-aminopyrimidine derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-01-24 CN disclosed
CN-111094254-B Heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-07-26 CN disclosed
WO-2020011220-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-01-16 WO disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 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 (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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK TSHR 1056/4885ALDH1A1 2440/4885CYP3A4 626/4885
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA1 TSHR 101/4885ALDH1A1 637/4885CYP3A4 1059/4885

“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.