SCHEMBL17453369

SCHEMBL17453369

Cc1ccc2[nH]c3c(ccc[n+]3[O-])c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
NPC1 O15118 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
KIF11 P52732 3/20 0.42
NQO2 P16083 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ALOX15 P16050 1/20 0.40
PTGS2 P35354 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL17453375 0.87 KIF11 (0.54) ACHENPC1MEN1KMT2APOLB
SCHEMBL17453389 0.81 CHUK (0.41) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL13460967 0.79 ALDH1A1 (0.50) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL29362354 0.72 KIF11 (0.67) ACHENPC1MEN1KMT2APOLB
SCHEMBL345690 0.72 KIF11 (0.67) ACHENPC1MEN1KMT2APOLB
Carbazole SCHEMBL28016320 0.71 KIF11 (0.77) ACHENPC1MEN1KMT2APOLB
SCHEMBL262221 0.71 KIF11 (0.77) ACHENPC1MEN1KMT2APOLB
SCHEMBL29563317 0.71 KIF11 (0.77) ACHENPC1MEN1KMT2APOLB
SCHEMBL17453390 0.71 KDM4E (0.46) ACHEMEN1KMT2APOLBALDH1A1
SCHEMBL13828021 0.68 KIF11 (0.62) ACHENPC1MEN1KMT2APOLB

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 8 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
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-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 ACHE 1142/4885NPC1 4117/4885MEN1 4052/4885
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 ACHE 1142/4885NPC1 4117/4885MEN1 4052/4885
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 ACHE 1142/4885NPC1 4117/4885MEN1 4052/4885
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 ACHE 1142/4885NPC1 4117/4885MEN1 4052/4885
US-10759792-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 ACHE 1142/4885NPC1 4117/4885MEN1 4052/4885

“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.