SCHEMBL17453374

SCHEMBL17453374

Clc1ccc2[nH]c3nccc(Br)c3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.54
ERBB2 P04626 5/20 0.52
PTK6 Q13882 4/20 0.52
CHUK O15111 1/20 0.47
MAP2K7 O14733 1/20 0.44
EGFR P00533 2/20 0.43
IGF1R P08069 2/20 0.43
DYRK1A Q13627 1/20 0.42
MAP3K14 Q99558 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
EIF2AK2 P19525 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.39

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 0.81 UTS2R (0.56) UTS2RERBB2PTK6RXFP1KDM4E
SCHEMBL16011809 0.76 ALK (0.54) UTS2RERBB2PTK6EGFR
SCHEMBL675163 0.74 PTK6 (0.59) UTS2RERBB2PTK6CHUKEGFR
SCHEMBL20462060 0.74 IGF1R (0.39) UTS2RERBB2PTK6EGFRIGF1R
SCHEMBL23606151 0.73 CHUK (0.42) ERBB2PTK6CHUKRXFP1CCNB2
SCHEMBL6881920 0.73 AURKA (0.56) UTS2RCHUKMAP2K7EGFRIGF1R
SCHEMBL31219008 0.73 AURKA (0.56) UTS2RCHUKMAP2K7EGFRIGF1R
SCHEMBL30273621 0.73 CHUK (0.54) UTS2RERBB2PTK6CHUKCCNB2
SCHEMBL16011911 0.73 CHUK (0.54) UTS2RERBB2PTK6CHUKCCNB2
SCHEMBL23885518 0.72 MAP2K7 (0.48) UTS2RCHUKMAP2K7EGFRIGF1R

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 4564/4885ERBB2 194/4885PTK6 273/4885
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885ERBB2 194/4885PTK6 273/4885
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885ERBB2 194/4885PTK6 273/4885
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885ERBB2 194/4885PTK6 273/4885
US-10759792-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885ERBB2 194/4885PTK6 273/4885

“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.