SCHEMBL20719131

SCHEMBL20719131

CCN1CCOc2c(F)cc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.40
CDK4 P11802 4/20 0.40
CDK6 Q00534 4/20 0.40
CSF1R P07333 3/20 0.40
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
GRM5 P41594 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL21245567 0.88 CDK4 (0.41) PTGER3CDK4CDK6CSF1RAR
SCHEMBL21245553 0.84 CDK4 (0.43) PTGER3CDK4CDK6CSF1RAR
SCHEMBL21245682 0.80 CSF1R (0.37) CDK4CDK6CSF1RARPIK3CD
SCHEMBL21245641 0.76 CDK6 (0.43) CDK4CDK6CSF1RPIK3CD
SCHEMBL13180251 0.75 PIK3CB (0.40) PTGER3CDK4CDK6CSF1RGRM5
SCHEMBL12404758 0.74 CSF1R (0.32) PTGER3CDK4CDK6CSF1R
SCHEMBL20523556 0.74 KDM4E (0.37) KMT2A
SCHEMBL21245537 0.74 PTGER3 (0.36) PTGER3CDK4CDK6CSF1RNR3C1
SCHEMBL20719222 0.74 NR3C1 (0.36) PTGER3CDK4CDK6CSF1RNR3C1
SCHEMBL23407701 0.74 NOTUM (0.48) GRM5LMNARIPK1

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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 CN disclosed
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US disclosed
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 US disclosed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US disclosed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 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 (9 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PTGER3 1/4885CDK4 711/4885CDK6 641/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PTGER3 1/4885CDK4 707/4885CDK6 717/4885
US-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 PTGER3 1776/4885CDK4 2/4885CDK6 1/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PTGER3 2759/4885CDK4 1/4885CDK6 2/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PTGER3 1/4885CDK4 711/4885CDK6 641/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PTGER3 2759/4885CDK4 1/4885CDK6 2/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PTGER3 1/4885CDK4 707/4885CDK6 717/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PTGER3 1/4885CDK4 751/4885CDK6 651/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PTGER3 1/4885CDK4 751/4885CDK6 651/4885

“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.