SCHEMBL17453391

SCHEMBL17453391

Cc1ccc2c(c1)[nH]c1nccc(Br)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.43
KIF11 P52732 2/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
FLT1 P17948 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CLK2 P49760 1/20 0.42

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
SCHEMBL17453383 0.87 UTS2R (0.56) UTS2RGABRPGABRDGABRA1GABRB1
SCHEMBL17453368 0.80 DYRK1A (0.52) CLK2GSK3BCDK9CDK5DYRK1A
SCHEMBL16011809 0.76 ALK (0.54) UTS2RAURKAACVR1ALKGABRA1
SCHEMBL2628357 0.75 KIF11 (0.46) UTS2RKIF11AURKADAPK3JAK2
SCHEMBL30646324 0.75 KIF11 (0.46) UTS2RKIF11AURKADAPK3JAK2
SCHEMBL28593610 0.75 ADORA3 (0.53) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL2628369 0.73 KIF11 (0.58) KIF11AURKAGSK3AGSK3BGABRP
SCHEMBL23885174 0.72 RET (0.49) KIF11AURKAMAP4K4ABL1RET
SCHEMBL30052504 0.72 RET (0.49) KIF11AURKAMAP4K4ABL1RET
SCHEMBL27209223 0.71 PARG (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325908-B2 CaMKII inhibitors and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2022-05-10 US disclosed
EP-3189052-B1 CAMKII INHIBITORS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2021-11-03 EP disclosed
EP-3189052-B1 CAMKII INHIBITORS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2021-11-03 EP disclosed
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. 2020-12-10 US disclosed
US-10759792-B2 CaMKII inhibitors and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2020-09-01 US disclosed
EP-2964225-B1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS INC (US) 2018-08-08 EP disclosed
US-9951061-B2 CaMKII inhibitors and uses thereof ALLOSTEROS THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2017-08-31 US disclosed
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2017-08-31 US disclosed
WO-2016037106-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC (US) 2016-03-10 WO disclosed
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2016-01-28 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 (5 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-11325908-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885KIF11 2930/4885AURKA 411/4885
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885KIF11 2930/4885AURKA 411/4885
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885KIF11 2930/4885AURKA 411/4885
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885KIF11 2930/4885AURKA 411/4885
US-10759792-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885KIF11 2930/4885AURKA 411/4885

“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.