SCHEMBL327654

SCHEMBL327654

CCc1cnccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CYP2A6 P11509 5/20 0.39
CYP2E1 P05181 3/20 0.39
CYP2C8 P10632 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2B6 P20813 3/20 0.39
CYP2C19 P33261 3/20 0.39
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
ERN1 O75460 2/20 0.34

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
SCHEMBL29952188 1.00 CCNC (0.40) CCNCCDK8CYP2A6CYP2E1CYP2C8
SCHEMBL14872350 0.83 CYP2A6 (0.42) CCNCCDK8CYP2A6CYP2E1CYP2C8
SCHEMBL31068616 0.83 CYP2A6 (0.42) CCNCCDK8CYP2A6CYP2E1CYP2C8
SCHEMBL36439 0.82 CCNC (0.39) CCNCCDK8CYP2A6CYP2E1CYP2C8
SCHEMBL21505634 0.81 CYP11B2 (0.39) CCR1CCR5CCR8CCNT1CDK9
SCHEMBL9000433 0.77 CCNC (0.36) CCNCCDK8CYP2A6CYP2E1CYP2C8
SCHEMBL23748204 0.76 CA12 (0.32) CYP2A6CCR1CCR5CCR8CCNT1
SCHEMBL877689 0.75 CYP2E1 (0.48) CCNCCDK8CYP2A6CYP2E1CYP2C8
SCHEMBL2600757 0.75 KMT2A (0.46) CCNCCDK8CYP2A6CYP2E1CYP2D6
SCHEMBL29955436 0.75 KMT2A (0.46) CCNCCDK8CYP2A6CYP2E1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-04-24 US disclosed
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-12-10 US disclosed
EP-3830079-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS The Trustees of Princeton University (US) 2021-06-09 EP disclosed
US-20210155602-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-05-27 US disclosed
US-20210155602-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-05-27 US disclosed
WO-2020028461-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-02-06 WO disclosed
WO-2020028461-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-02-06 WO disclosed
US-8134005-B2 Preparation and use of magnesium amides Ludwig-Maximilians-Universitat München (DE) 2012-03-13 US disclosed
US-20090176988-A1 Preparation and Use of Magnesium Amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUENCHEN (DE) 2009-07-09 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
EP-0129791-A2 Tetrahydropyridazinone derivatives, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1985-01-02 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 (5 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-20210155602-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS ALDH3A1, ALDH1A3, ALDH2 CCNC 2951/4885CDK8 2820/4885CYP2A6 1908/4885
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS ALDH3A1, ALDH1A1, ALDH2 CCNC 2195/4885CDK8 1956/4885CYP2A6 768/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 CCNC 2248/4885CDK8 1717/4885CYP2A6 1948/4885
US-20090176988-A1 Preparation and Use of Magnesium Amides MLX, GLRX3, SFXN3 CCNC 2706/4885CDK8 3548/4885CYP2A6 1456/4885
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers ALDH3A1, ALDH2, ALDH1A1 CCNC 2341/4885CDK8 2408/4885CYP2A6 1122/4885

“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.