SCHEMBL3404489

SCHEMBL3404489

NC(=O)[C@@H]1CCC[C@@H](NC(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
EPHX2 P34913 2/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
MME P08473 1/20 0.38
TSHR P16473 1/20 0.36
EPHX1 P07099 5/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
HTT P42858 1/20 0.34
NOS2 P35228 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
SCHEMBL2370903 1.00 BTK (0.44) BTKEPHX2KDM4EMAPTKMT2A
SCHEMBL18338356 1.00 BTK (0.44) BTKEPHX2KDM4EMAPTKMT2A
SCHEMBL3404488 1.00 BTK (0.44) BTKEPHX2KDM4EMAPTKMT2A
SCHEMBL2402132 1.00 BTK (0.44) BTKEPHX2KDM4EMAPTKMT2A
SCHEMBL2370831 1.00 BTK (0.44) BTKEPHX2KDM4EMAPTKMT2A
SCHEMBL7073774 0.88 MME (0.43) BTKEPHX2KDM4EMAPTKMT2A
SCHEMBL2371712 0.88 MME (0.43) BTKEPHX2KDM4EMAPTKMT2A
SCHEMBL12814592 0.88 MME (0.43) BTKEPHX2KDM4EMAPTKMT2A
SCHEMBL7448778 0.88 MME (0.43) BTKEPHX2KDM4EMAPTKMT2A
SCHEMBL2405013 0.88 MME (0.43) BTKEPHX2KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539961-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2021-10-06 EP disclosed
US-10717746-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-07-21 US disclosed
EP-3539961-A1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS Astrazeneca AB (SE) 2019-09-18 EP disclosed
EP-3313838-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2019-04-03 EP disclosed
EP-3313838-A1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS Astrazeneca AB (SE) 2018-05-02 EP disclosed
US-20180093998-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-05 US disclosed
US-9845331-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-12-19 US disclosed
WO-2017001354-A1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2017-01-05 WO disclosed
US-20160376287-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-12-29 US disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 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 (3 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-20160376287-A1 Chemical Compounds CDK9, BCL9, BCL9L BTK 398/4885EPHX2 4251/4885KDM4E 489/4885
US-10717746-B2 Chemical compounds CDK9, BCL9, BCL9L BTK 398/4885EPHX2 4251/4885KDM4E 489/4885
US-20180093998-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L BTK 398/4885EPHX2 4251/4885KDM4E 489/4885

“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.