SCHEMBL16620163

SCHEMBL16620163

O=Cc1c2n(c3ccc(C(F)(F)F)cc13)CCOC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNK3 O14649 4/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
EPHX2 P34913 2/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
AKR1C3 P42330 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
SCHEMBL16618965 0.73 KCNK3 (0.36) LMNASMN1; SMN2ALDH1A1KDM4EKCNK3
SCHEMBL16629549 0.68 ALDH1A1 (0.41) LMNAALDH1A1KDM4EHTR2AHTR2C
SCHEMBL17968728 0.66 MEN1 (0.49) LMNASMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL11611131 0.66 MEN1 (0.63) LMNASMN1; SMN2ALDH1A1PIK3CAPIK3CB
SCHEMBL11606241 0.64 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1KDM4EPIK3CA
SCHEMBL19960991 0.62 PER2 (0.44) SMN1; SMN2ALDH1A1KDM4EKCNK3PIK3CA
SCHEMBL18202161 0.62 PER2 (0.41) SMN1; SMN2ALDH1A1KDM4EKCNK3HTR2A
SCHEMBL15093911 0.62 LMNA (0.66) LMNASMN1; SMN2ALDH1A1KDM4EPIK3CA
SCHEMBL3048743 0.62 LMNA (0.66) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL18202353 0.62 PER2 (0.40) SMN1; SMN2ALDH1A1KDM4EKCNK3PIK3CA

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
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 WO disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 WO 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 (1 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 LMNA 1064/4885SMN1; SMN2 1127/4885ALDH1A1 1923/4885

“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.