SCHEMBL1777672

SCHEMBL1777672

O=C1CCN(C(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
EPHX2 P34913 2/20 0.45
SPR P35270 1/20 0.44
MAPK14 Q16539 1/20 0.44
PKM P14618 1/20 0.44
PKLR P30613 1/20 0.44

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
SCHEMBL14103288 0.83 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL24016846 0.81 LMNA (0.96) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL157119 0.81 TSHR (0.64) LMNACYP2C9CYP2C19HTTALDH1A1
SCHEMBL937500 0.79 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL18390530 0.79 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL18713064 0.79 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL7446407 0.79 HPGD (0.69) LMNAHTTALDH1A1KDM4EKMT2A
SCHEMBL4095413 0.79 CCR5 (0.46) LMNACYP2C9CYP2C19HTTALDH1A1
Ethylene SCHEMBL8381701 0.78 TSHR (0.60) LMNACYP2C9CYP2C19HTTALDH1A1
SCHEMBL9425182 0.77 L3MBTL1 (0.49) LMNACYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309571-B2 Heterobicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-8309571-B2 Heterobicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-8309571-B2 Heterobicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20110190292-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190292-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190292-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-7943617-B2 Especially p38 MAP kinase alpha and beta; 2,4-difluorophenyl(3-(2-(trifluoromethyl)phenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)methanone BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-17 US disclosed
US-7943617-B2 Especially p38 MAP kinase alpha and beta; 2,4-difluorophenyl(3-(2-(trifluoromethyl)phenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)methanone BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-17 US disclosed
US-7943617-B2 Especially p38 MAP kinase alpha and beta; 2,4-difluorophenyl(3-(2-(trifluoromethyl)phenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)methanone BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-17 US disclosed
US-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 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 (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-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP2K2, MAP2K6, MAP2K1 LMNA 2399/4885CYP1A2 820/4885CYP2C9 840/4885
US-20110190292-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP2K2, MAP2K6, MAP2K1 LMNA 2399/4885CYP1A2 820/4885CYP2C9 840/4885

“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.