SCHEMBL17453383

SCHEMBL17453383

Cc1ccc2[nH]c3nccc(Br)c3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.56
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.43
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ERBB2 P04626 3/20 0.41
PTK6 Q13882 3/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL17453391 0.87 UTS2R (0.43) UTS2RACHEERBB2PTK6RXFP1
SCHEMBL17453374 0.81 UTS2R (0.54) UTS2RERBB2PTK6KDM4ERXFP1
SCHEMBL20462060 0.77 IGF1R (0.39) UTS2RERBB2PTK6KDM4EALDH1A1
SCHEMBL2628322 0.76 ACHE (0.54) UTS2RACHEBCHEGAAL3MBTL1
SCHEMBL16011809 0.76 ALK (0.54) UTS2RERBB2PTK6GABRA1GABRG2
SCHEMBL2628367 0.73 ACHE (0.56) UTS2RACHEBCHEGAAL3MBTL1
SCHEMBL23885302 0.72 KDM4E (0.48) UTS2RACHEGAAL3MBTL1KDM4E
SCHEMBL28593610 0.71 ADORA3 (0.53) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL17453368 0.71 DYRK1A (0.52) ACHEBCHEERBB2PTK6KDM4E
SCHEMBL4962608 0.70 ALK (0.37) UTS2RERBB2PTK6

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 4564/4885ACHE 1142/4885BCHE 2418/4885
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885ACHE 1142/4885BCHE 2418/4885
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885ACHE 1142/4885BCHE 2418/4885
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885ACHE 1142/4885BCHE 2418/4885
US-10759792-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 UTS2R 4564/4885ACHE 1142/4885BCHE 2418/4885

“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.