SCHEMBL482103

SCHEMBL482103

Cc1nn(C(=O)O)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
IKBKB O14920 1/20 0.32
IKBKE Q14164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
APAF1 O14727 1/20 0.32
TP53 P04637 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
ELANE P08246 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
EPHX2 P34913 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL376224 0.79 L3MBTL1 (0.38) ALDH1A1ATMNPSR1L3MBTL1POLB
SCHEMBL27881026 0.78 L3MBTL1 (0.33) ALDH1A1L3MBTL1POLBKDM4ENPC1
Hydrochloric Acid SCHEMBL11562510 0.77 L3MBTL1 (0.33) ALDH1A1L3MBTL1POLBKDM4E
SCHEMBL22749935 0.75 KDM4E (0.43) ALDH1A1IKBKBKMT2AKDM4ENPC1
SCHEMBL15512886 0.75 GAA (0.35) ALDH1A1IKBKBIKBKEL3MBTL1KMT2A
SCHEMBL18059711 0.75 ALDH1A1 (0.33) ALDH1A1NPSR1HTTKMT2AKDM4E
SCHEMBL481939 0.74 ROCK2 (0.34) ATMHTTL3MBTL1KDM4EELANE
Hydrochloric Acid SCHEMBL11558888 0.73 MEN1 (0.33) ALDH1A1HTTL3MBTL1POLBKMT2A
SCHEMBL29223388 0.72 KDM4E (0.33) L3MBTL1KDM4E
SCHEMBL21808338 0.71 EPHX2 (0.57) ALDH1A1ATMHTTL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150327-A1 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2024-05-09 US disclosed
US-11905275-B2 Bipyrazole derivatives as JAK inhibitors INCYTE CORPORATION (US) 2024-02-20 US disclosed
EP-4275756-A2 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS Incyte Holdings Corporation (US) 2023-11-15 EP disclosed
EP-3786162-B1 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS INCYTE HOLDINGS CORP (US) 2023-08-09 EP disclosed
US-20230159501-A1 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2023-05-25 US disclosed
US-11591318-B2 Bipyrazole derivatives as JAK inhibitors INCYTE CORPORATION (US) 2023-02-28 US disclosed
US-20210238168-A1 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2021-08-05 US disclosed
US-11001571-B2 Bipyrazole derivatives as JAK inhibitors INCYTE CORPORATION (US) 2021-05-11 US disclosed
EP-3786162-A1 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2021-03-03 EP disclosed
EP-3527263-B1 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS INCYTE CORP (US) 2020-10-28 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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-11905275-B2 Bipyrazole derivatives as JAK inhibitors JAK1, JAK2, JAK3 ALDH1A1 2504/4885ATM 1718/4885NPSR1 4510/4885
US-11591318-B2 Bipyrazole derivatives as JAK inhibitors JAK1, JAK2, JAK3 ALDH1A1 2504/4885ATM 1718/4885NPSR1 4510/4885
US-20210238168-A1 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 2504/4885ATM 1718/4885NPSR1 4510/4885
US-11001571-B2 Bipyrazole derivatives as JAK inhibitors JAK1, JAK2, JAK3 ALDH1A1 2504/4885ATM 1718/4885NPSR1 4510/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA ALDH1A1 2178/4885ATM 134/4885NPSR1 3371/4885
US-20240150327-A1 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 2504/4885ATM 1718/4885NPSR1 4510/4885
US-20230159501-A1 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 2504/4885ATM 1718/4885NPSR1 4510/4885
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB ALDH1A1 2651/4885ATM 1181/4885NPSR1 4242/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 ALDH1A1 1934/4885ATM 122/4885NPSR1 3921/4885

“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.