SCHEMBL16619618

SCHEMBL16619618

On1ccc2cc(C(F)(F)F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
PKM P14618 2/20 0.46
KCNH2 Q12809 1/20 0.41
KRAS P01116 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR2 P41597 1/20 0.35
PPARD Q03181 2/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35

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
SCHEMBL29599343 0.77 PRKCI (0.53) PKMKCNH2CYP11B1CYP11B2KDM4E
SCHEMBL16205315 0.77 PRKCI (0.53) PKMKCNH2CYP11B1CYP11B2KDM4E
SCHEMBL668763 0.75 PIM1 (0.43) PKMKCNH2KRASALDH1A1KDM4E
SCHEMBL18857011 0.74 KRAS (0.44) KCNH2KRASPPARDKCNQ3KCNQ2
SCHEMBL20655579 0.73 ALDH1A1 (0.44) PKMKCNH2CYP11B1CYP11B2CDC7
SCHEMBL31517105 0.72 KCNH2 (0.41) KCNH2KRASCYP11B1CYP11B2PIM1
SCHEMBL28682739 0.72 KCNH2 (0.41) KCNH2KRASCYP11B1CYP11B2PIM1
SCHEMBL17265928 0.71 GAA (0.40) CDC7CDK2ALDH1A1KDM4EMEN1
SCHEMBL20905231 0.71 KRAS (0.53) KRASPIM1PIM2MEN1KMT2A
SCHEMBL4996021 0.71 KDM4C (0.44) KCNH2ALDH1A1KDM4EMEN1KMT2A

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 4 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
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

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 CA2 3464/4885PKM 2264/4885KCNH2 2191/4885

“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.