SCHEMBL16019479

SCHEMBL16019479

CN1CCC(c2ncc3c(n2)[nH]c2ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.49
DRD2 P14416 2/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
CA5A P35218 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
VCP P55072 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PARP1 P09874 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36

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
SCHEMBL16019486 0.87 CA5A (0.43) HTR2ADRD2CA5AKDM4EATM
SCHEMBL16019490 0.82 CA5A (0.40) CA5APDK1PDK2KCNH2
SCHEMBL16019487 0.79 CA5A (0.42) CA5AKDM4EPDK1PDK2PARP1
SCHEMBL18949690 0.72 GABRA1 (0.34) CA5A
SCHEMBL6646652 0.70 DRD2 (0.51) HTR2ADRD2
SCHEMBL16009917 0.70 PDK2 (0.52) CA5AKDM4EPDK1PDK2
SCHEMBL4138146 0.69 HTR2A (0.52) HTR2ADRD2DRD1DRD5KDM4E
SCHEMBL6646337 0.69 SMO (0.42) CA5AKCNH2
SCHEMBL8809519 0.69 HSD17B10 (0.45) CA5AKDM4E
SCHEMBL6646664 0.68 MAP2K7 (0.44) KDM4ETLR7

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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 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 (3 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 HTR2A 4199/4885DRD2 4222/4885DRD1 4351/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTR2A 4199/4885DRD2 4222/4885DRD1 4351/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTR2A 4199/4885DRD2 4222/4885DRD1 4351/4885

“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.