SCHEMBL3686898

SCHEMBL3686898

Cc1cc(Br)c(C(=O)O)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 2/20 0.46

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
SCHEMBL31371830 1.00 LCK (0.50) LCKFYNCA12CA1CA2
SCHEMBL2813599 0.85 KDM4E (0.52) KDM4EKMT2ATDP1MEN1GLA
SCHEMBL3958112 0.85 LCK (0.55) LCKFYNCA12CA1CA2
SCHEMBL30280663 0.83 GABRP (0.52) KDM4EKMT2ATDP1MEN1GLA
SCHEMBL28347494 0.83 KDM4E (0.50) KDM4EKMT2ATDP1MEN1GLA
SCHEMBL2810184 0.83 KDM4E (0.50) KDM4EKMT2ATDP1MEN1GLA
SCHEMBL9081324 0.83 KDM4E (0.55) LCKFYNCA12CA1CA2
SCHEMBL4732592 0.83 GABRP (0.52) KDM4EKMT2ATDP1MEN1GLA
SCHEMBL2807685 0.83 KDM4E (0.50) KDM4EKMT2ATDP1MEN1GLA
SCHEMBL2537783 0.83 LCK (0.53) LCKFYNCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2024-05-09 US disclosed
CN-112236431-B Purinone Compounds and Their Use in the Treatment of Cancer 阿斯利康(瑞典)有限公司 2024-02-13 CN disclosed
US-11884671-B2 Purinone compounds and their use in treating cancer ASTRAZENECA AB (SE) 2024-01-30 US disclosed
EP-3807278-B1 PURINONE DERIVATIVES AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-08-31 EP disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
EP-3807278-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2021-04-21 EP disclosed
CN-112236431-A Purinone compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2021-01-15 CN disclosed
WO-2019238929-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-12-19 WO disclosed
WO-2019238929-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-12-19 WO disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 US disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 US disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 US disclosed
US-20070275907-A1 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE SEED, BRIAN 2007-11-29 US disclosed
US-20070275907-A1 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE SEED, BRIAN 2007-11-29 US disclosed
US-20070275907-A1 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE SEED, BRIAN 2007-11-29 US disclosed
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2006-06-08 US disclosed
EP-1594862-A1 METHODS OF MAKING 6- (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-&rs qb;-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM The Board of Regents of the University of Nebraska (US) 2005-11-16 EP disclosed
WO-2004074279-A1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2004-09-02 WO disclosed
US-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2004-08-26 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 (6 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-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form AGTR2, ALDH1A2, REN LCK 3625/4885FYN 4597/4885CA12 921/4885
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB LCK 4182/4885FYN 4776/4885CA12 4596/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB LCK 4154/4885FYN 4774/4885CA12 4541/4885
US-20070275907-A1 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE SLC5A1, SLC5A2, SLC2A1 LCK 2041/4885FYN 3050/4885CA12 1821/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB LCK 4182/4885FYN 4776/4885CA12 4596/4885
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form AGTR2, ALDH1A2, REN LCK 3298/4885FYN 4653/4885CA12 845/4885

“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.