SCHEMBL3761749

SCHEMBL3761749

CCN1CCc2ncc(N)nc2CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 6/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
RAD52 P43351 3/20 0.44
RECQL P46063 1/20 0.44
DRD2 P14416 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AB1 P08238 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PTPN11 Q06124 1/20 0.34
TP53 P04637 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
Hydrochloric Acid SCHEMBL11068467 0.98 LMNA (0.54) CYP3A4TSHRHSD17B10LMNABLM
Hydrochloric Acid SCHEMBL11075152 0.98 LMNA (0.54) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL11093911 0.90 RAD52 (0.49) CYP3A4TSHRHSD17B10LMNABLM
Hydrochloric Acid SCHEMBL11070523 0.89 LMNA (0.48) CYP3A4TSHRHSD17B10LMNABLM
Hydrochloric Acid SCHEMBL11069624 0.89 RAD52 (0.48) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL11072566 0.87 LMNA (0.45) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL11065622 0.84 LMNA (0.47) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL7709628 0.82 CYP3A4 (0.47) CYP3A4TSHRHSD17B10LMNABLM
Hydrochloric Acid SCHEMBL11290211 0.82 MAPT (0.46) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL194946 0.81 CYP3A4 (0.46) CYP3A4TSHRHSD17B10LMNABLM

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486433-A SLOWING HEART RATE DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-04 US claimed
EP-0047412-A1 Pyrazines, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1982-03-17 EP claimed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 EP disclosed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 EP disclosed
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 EP disclosed
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 EP disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
WO-1997048702-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-12-24 WO disclosed
US-4486433-A SLOWING HEART RATE DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-04 US disclosed
US-4409220-A Fused-ring amino-pyrazines as bradycardiac agents DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-11 US disclosed
EP-0047412-A1 Pyrazines, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1982-03-17 EP 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 (2 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-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES SULT2A1, DPYD, HRH2 CYP3A4 248/4885TSHR 1685/4885HSD17B10 1504/4885
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE3B CYP3A4 47/4885TSHR 2766/4885HSD17B10 830/4885

“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.