SCHEMBL669043

SCHEMBL669043

Cc1cnc2ccc(C=O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ CCR1 P32246 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ CYP2A6 P11509 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPM5 Q9NZQ8 1/20 0.39
▸ TSHR P16473 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
SCHEMBL23748323 0.86 ALDH1A1 (0.46) CYP1A2CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL16289900 0.82 CYP1A2 (0.52) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL13724449 0.79 RAB9A (0.41) CYP2A6ALDH1A1KDM4EMAPTMEN1
SCHEMBL16963468 0.79 CYP2A6 (0.37) CYP2A6ALDH1A1KDM4EMAPTMEN1
SCHEMBL16963494 0.79 ALDH1A1 (0.42) CYP1A2CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL16963371 0.79 ALDH1A1 (0.41) CYP2A6ALDH1A1KDM4EMAPTMEN1
SCHEMBL29956821 0.79 MAP4K4 (0.50) CYP2A6ALDH1A1KDM4EHPGDRAB9A
SCHEMBL4572536 0.78 CYP1A2 (0.65) CYP1A2CCR1CCR5CCR8CYP2A6
SCHEMBL4586466 0.78 TYR (0.47) CYP2A6ALDH1A1KDM4EMAPTMEN1
SCHEMBL26633983 0.78 RAB9A (0.58) CYP1A2ALDH1A1KDM4EMAPTMEN1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 — — EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 — — WO disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 — — US disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 — — WO disclosed
EP-1687277-B1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-04 — — EP disclosed
US-9115084-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2015-08-25 — — US disclosed
EP-1709012-B1 6-SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 — — EP disclosed
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-12 — — US disclosed
US-8450486-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 — — US disclosed
CN-1703403-A Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2005-11-30 — — CN disclosed
US-20050209273-A1 Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-22 — — US disclosed
CN-1642580-A Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA NV (BE) 2005-07-20 — — CN disclosed
WO-2005054201-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-16 — — WO disclosed
WO-2005054210-A1 6-SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-16 — — WO disclosed
EP-1492571-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-05 — — EP disclosed
US-20040082592-A1 Metabotropic glutamate receptor antagonists JANSSEN-CILAG SA (FR) 2004-04-29 — — US disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 — — WO disclosed
EP-1332133-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-08-06 — — EP disclosed
WO-2002028837-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-11 — — 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 (4 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-20040082592-A1 Metabotropic glutamate receptor antagonists GRM3, GRM1, GRIN3A CYP1A2 774/4885CCR1 252/4885CCR5 401/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 CYP1A2 587/4885CCR1 2982/4885CCR5 1663/4885
US-20050209273-A1 Metabotropic glutamate receptor antagonists GRM3, GRM1, GRIN3A CYP1A2 775/4885CCR1 268/4885CCR5 440/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 CYP1A2 3456/4885CCR1 4181/4885CCR5 4526/4885

“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.

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