SCHEMBL17578392

SCHEMBL17578392

c1ccc2c(c1)[nH]c1nccc(-c3cc[nH]c3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
ALK Q9UM73 6/20 0.46
ERBB2 P04626 4/20 0.45
PTK6 Q13882 6/20 0.43
UTS2R Q9UKP6 5/20 0.43
AURKA O14965 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ACVR1 Q04771 1/20 0.41
AURKC Q9UQB9 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 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
SCHEMBL674288 0.80 MAPK14 (0.60) MAPK14ALKERBB2PTK6UTS2R
SCHEMBL17578476 0.75 PTK6 (0.51) MAPK14ALKERBB2PTK6UTS2R
SCHEMBL16011993 0.74 MAPK14 (0.48) MAPK14ALKERBB2PTK6AURKA
SCHEMBL16257469 0.74 LRRK2 (0.53) MAPK14ALKERBB2PTK6UTS2R
SCHEMBL674474 0.74 PTK6 (0.64) MAPK14ALKERBB2PTK6UTS2R
SCHEMBL16024047 0.74 ERBB2 (0.61) MAPK14ALKERBB2PTK6AURKA
SCHEMBL23967926 0.72 PTK6 (0.49) MAPK14ALKERBB2PTK6UTS2R
SCHEMBL17471213 0.72 PTK6 (0.49) MAPK14ALKERBB2PTK6AURKA
SCHEMBL668576 0.72 ALK (0.47) MAPK14ALKERBB2PTK6UTS2R
SCHEMBL17578441 0.71 MAPK14 (0.41) MAPK14ALKERBB2PTK6UTS2R

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 6 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MAPK14 468/4885ALK 2846/4885ERBB2 194/4885
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 MAPK14 468/4885ALK 2846/4885ERBB2 194/4885
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 MAPK14 468/4885ALK 2846/4885ERBB2 194/4885
US-10759792-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 MAPK14 468/4885ALK 2846/4885ERBB2 194/4885

“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.