SCHEMBL16011815

SCHEMBL16011815

N=C(N)NCc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 4/20 0.42
F2 P00734 2/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MAPK14 Q16539 1/20 0.41
PTK6 Q13882 4/20 0.41
ALK Q9UM73 4/20 0.41
EGFR P00533 4/20 0.41
ERBB2 P04626 2/20 0.41
AURKA O14965 1/20 0.41
SRC P12931 1/20 0.41
ACVR1 Q04771 1/20 0.41
AURKC Q9UQB9 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
AURKB Q96GD4 1/20 0.39
IGF1R P08069 2/20 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
SCHEMBL23967953 0.84 PRMT6 (0.48) MAPK14PTK6ALKEGFRERBB2
SCHEMBL16011810 0.83 EGFR (0.47) MAPK14PTK6ALKEGFRERBB2
SCHEMBL16011816 0.82 GRIN2D (0.43) F3F2F10PRSS1PRSS2
SCHEMBL16011996 0.82 PTK6 (0.47) MAPK14PTK6ALKEGFRERBB2
SCHEMBL16024056 0.79 BRD4 (0.48) F3F2F10PRSS1PRSS2
SCHEMBL16024047 0.77 ERBB2 (0.61) MAPK14PTK6ALKEGFRERBB2
SCHEMBL16011993 0.77 MAPK14 (0.48) MAPK14PTK6ALKEGFRERBB2
SCHEMBL16011997 0.76 MAPK14 (0.43) MAPK14PTK6ALKEGFRERBB2
SCHEMBL17471213 0.75 PTK6 (0.49) MAPK14PTK6ALKEGFRERBB2
SCHEMBL16257469 0.74 LRRK2 (0.53) MAPK14PTK6ALKEGFRERBB2

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 18 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
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-9951061-B2 CaMKII inhibitors and uses thereof ALLOSTEROS THERAPEUTICS, INC. (US) 2018-04-24 US 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
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2016-01-28 US disclosed
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2016-01-28 US disclosed
EP-2964225-A1 CaMKII INHIBITORS AND USES THEREOF Allosteros Therapeutics Inc. (US) 2016-01-13 EP disclosed
WO-2014138212-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2014-09-12 WO disclosed
WO-2014138212-A1 CaMKII INHIBITORS AND USES THEREOF ALLOSTEROS THERAPEUTICS, INC. (US) 2014-09-12 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 (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 F3 3192/4885F2 4595/4885F10 3855/4885
US-20170247374-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 F3 3192/4885F2 4595/4885F10 3855/4885
US-20160024078-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 F3 3192/4885F2 4595/4885F10 3855/4885
US-20200385383-A1 CaMKII INHIBITORS AND USES THEREOF CAMK2G, CAMK2B, CAMK1 F3 3192/4885F2 4595/4885F10 3855/4885
US-10759792-B2 CaMKII inhibitors and uses thereof CAMK2G, CAMK2B, CAMK1 F3 3192/4885F2 4595/4885F10 3855/4885

“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.