SCHEMBL2819930

SCHEMBL2819930

COc1ccc2ncc(C#N)c(Br)c2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.40
EGFR P00533 7/20 0.39
KCNH2 Q12809 1/20 0.38
ERBB2 P04626 6/20 0.38
MAP4K4 O95819 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 2/20 0.36
GAK O14976 1/20 0.36
HPGDS O60760 1/20 0.35
FLT3 P36888 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL14361196 0.84 SRC (0.39) CSF1REGFRKCNH2ERBB2MAP4K4
SCHEMBL3278716 0.82 SRC (0.39) CSF1REGFRKCNH2ERBB2MAP4K4
SCHEMBL22013370 0.82 KCNH2 (0.38) CSF1REGFRKCNH2ERBB2MAP4K4
SCHEMBL2040415 0.80 EGFR (0.43) EGFRKCNH2MAP4K4
SCHEMBL3272833 0.79 CSF1R (0.38) CSF1REGFRKCNH2ERBB2MAP4K4
SCHEMBL2489719 0.78 EGFR (0.42) CSF1REGFRKCNH2MAP4K4
SCHEMBL2949290 0.77 MAP4K4 (0.41) EGFRKCNH2MAP4K4
SCHEMBL29692870 0.77 EGFR (0.41) EGFRKCNH2
SCHEMBL1075499 0.77 EGFR (0.41) EGFRKCNH2MAP4K4
SCHEMBL29692882 0.77 EGFR (0.41) EGFRKCNH2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 WO disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
EP-2723737-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Kyorin Pharmaceutical Co., Ltd. (JP) 2014-04-30 EP disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed
EP-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
EP-2041145-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008003690-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2008-01-10 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD CSF1R 3805/4885EGFR 3139/4885KCNH2 1381/4885
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE AADAC, AZI2, NNMT CSF1R 3575/4885EGFR 2028/4885KCNH2 2592/4885

“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.