SCHEMBL14962811

SCHEMBL14962811

COc1ccc2[nH]cc(CCNC(C)=O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 1.00
MTNR1B P49286 17/20 1.00
CYP1A2 P05177 4/20 0.58
NOTUM Q6P988 3/20 0.58
NQO2 P16083 3/20 0.58
BLM P54132 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
HPGD P15428 2/20 0.58
CYP1A1 P04798 1/20 0.58
MPO P05164 1/20 0.58
HTR1A P08908 1/20 0.58
HTR2B P41595 1/20 0.58
RAB9A P51151 1/20 0.58
PMP22 Q01453 1/20 0.58
CYP1B1 Q16678 1/20 0.58

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
SCHEMBL25290441 0.90 MTNR1A (0.82) MTNR1AMTNR1BCYP1A2NOTUMNQO2
SCHEMBL31252456 0.86 MTNR1A (0.75) MTNR1AMTNR1BCYP1A2NOTUMNQO2
SCHEMBL31211536 0.85 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2NOTUMNQO2
SCHEMBL25792307 0.85 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2NOTUMNQO2
SCHEMBL5341347 0.85 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2NOTUMNQO2
SCHEMBL5346251 0.85 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2NOTUMNQO2
SCHEMBL14960976 0.83 MTNR1A (0.71) MTNR1AMTNR1BCYP1A2NOTUMNQO2
SCHEMBL5346043 0.83 MTNR1A (0.71) MTNR1AMTNR1BCYP1A2NOTUMNQO2
SCHEMBL25028247 0.83 MTNR1A (0.70) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL5349767 0.82 MTNR1A (0.70) MTNR1AMTNR1BCYP1A2NOTUMNQO2

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-4709483-A1 NEW 5H-PYRROLO[3,2-B:5,4-C']DIPYRIDINE DERIVATIVES AND 6,7,8,9-TETRAHYDRO-5H-PYRROLO[3,2-B:5,4-C']DIPYRIDINE USEFUL IN THE TREATMENT OF CANCER Institut Regional du Cancer de Montpellier (FR) 2026-03-18 EP disclosed
WO-2024235836-A1 NEW 5H-PYRROLO[3,2-B:5,4-C']DIPYRIDINE DERIVATIVES AND 6,7,8,9-TETRAHYDRO-5H-PYRROLO[3,2-B:5,4-C']DIPYRIDINE USEFUL IN THE TREATMENT OF CANCER INSTITUT REGIONAL DU CANCER DE MONTPELLIER (FR) 2024-11-21 WO disclosed
EP-4461368-A1 5H-PYRROLO[3,2-B:5,4-C']DIPYRIDINE DERIVATIVES AND 6,7,8,9-TETRAHYDRO-5H-PYRROLO[3,2-B:5,4-C']DIPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Institut Regional du Cancer de Montpellier (FR) 2024-11-13 EP disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 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 (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-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC MTNR1A 570/4885MTNR1B 782/4885CYP1A2 4454/4885

“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.