SCHEMBL1621880

SCHEMBL1621880

CC(C)Cc1cnc(N2CCC(CC(C)C)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CETP P11597 1/20 0.35
ACACB O00763 3/20 0.35
OGA O60502 2/20 0.34
GPR119 Q8TDV5 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
PDE8B O95263 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1687202 0.89 NPC1 (0.38) MAPK8MAPK10NPC1RAB9AKDM4E
SCHEMBL15133278 0.80 KDM4E (0.49) KDM4EGPR119MAPT
SCHEMBL1621687 0.76 MAPT (0.47) NPC1RAB9AKDM4EOGATAAR1
SCHEMBL22849709 0.74 ALDH1A1 (0.43) TP53
SCHEMBL11957018 0.72 GPR119 (0.46) NPC1RAB9AKDM4EOGAGPR119
SCHEMBL19450729 0.71 OGA (0.47) NPC1RAB9AKDM4EOGAGPR119
SCHEMBL18637545 0.71 GPR119 (0.41) MAPK8MAPK10OGAGPR119
SCHEMBL18637846 0.71 MAPK8 (0.40) MAPK8MAPK10ACACB
SCHEMBL12239174 0.70 TSHR (0.50) NPC1RAB9AKDM4EOGAGPR119
SCHEMBL1103982 0.70 MAPK8 (0.47) MAPK8MAPK10NPC1RAB9AKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2017-12-21 US disclosed
US-9725461-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2017-08-08 US disclosed
US-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2015-07-23 US disclosed
US-8906909-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2014-12-09 US disclosed
US-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2014-06-05 US disclosed
US-8461157-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-06-11 US disclosed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
US-8367663-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-02-05 US disclosed
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2012-04-12 US disclosed
US-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2010-09-02 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 (6 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-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB MAPK8 494/4885MAPK10 795/4885NPC1 2404/4885
US-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB MAPK8 494/4885MAPK10 795/4885NPC1 2404/4885
US-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB MAPK8 502/4885MAPK10 820/4885NPC1 2478/4885
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB MAPK8 494/4885MAPK10 795/4885NPC1 2404/4885
US-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB MAPK8 502/4885MAPK10 820/4885NPC1 2478/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 MAPK8 664/4885MAPK10 555/4885NPC1 2922/4885

“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.