SCHEMBL2910799

SCHEMBL2910799

COC(=O)c1cc(O)c2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.43
DYRK1A Q13627 2/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PARP1 P09874 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
P2RY14 Q15391 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCS1 P62166 1/20 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
SCHEMBL19579754 0.89 CFTR (0.49) CFTRMAPTLCKDYRK1AKDM4E
SCHEMBL4470516 0.86 KDM4E (0.46) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL430874 0.85 CFTR (0.48) CFTRMAPTDYRK1APARP1
SCHEMBL2904601 0.83 IGFBP3 (0.50) KDM4EPARP1MEN1KMT2ASLC6A2
SCHEMBL2909985 0.83 DYRK1A (0.43) MAPTLCKDYRK1AHTTL3MBTL1
SCHEMBL2907172 0.82 LCK (0.43) MAPTLCKKDM4EPARP1MEN1
SCHEMBL2908924 0.81 KDM4E (0.49) MAPTLCKKDM4EALDH1A1LMNA
SCHEMBL16759798 0.81 CFTR (0.47) CFTRMAPTDYRK1AKDM4EPARP1
SCHEMBL2907089 0.80 GRM2 (0.46) MAPTLCKKDM4EKMT2AALDH1A1
SCHEMBL2904899 0.79 EGFR (0.46) LCKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 US disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 US disclosed
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 US disclosed
EP-3074400-B1 OCTAHYDRO-CYCLOBUTA [1,2-C;3,4-C']DIPYRROLE DERIVATIVES AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
EP-3074400-A1 NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL F. Hoffmann-La Roche AG (CH) 2016-10-05 EP disclosed
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2016-09-15 US disclosed
WO-2015078803-A1 NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL F. HOFFMANN-LA ROCHE AG (CH) 2015-06-04 WO disclosed
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-7084142-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
US-20060122188-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 US disclosed
US-7056923-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-06 US disclosed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 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 (10 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-20060122188-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, P2RY1, ADORA1 CFTR 1631/4885MAPT 4866/4885LCK 4567/4885
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 CFTR 2322/4885MAPT 3390/4885LCK 831/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R CFTR 1641/4885MAPT 4857/4885LCK 4675/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R CFTR 1641/4885MAPT 4857/4885LCK 4675/4885
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 CFTR 2322/4885MAPT 3390/4885LCK 831/4885
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 CFTR 2322/4885MAPT 3390/4885LCK 831/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 CFTR 1424/4885MAPT 4869/4885LCK 4575/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B CFTR 1737/4885MAPT 4867/4885LCK 4696/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 CFTR 2332/4885MAPT 3417/4885LCK 850/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R CFTR 1613/4885MAPT 4861/4885LCK 4659/4885

“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.