SCHEMBL21408482

SCHEMBL21408482

Fc1ccc(-c2cn(C3CCCCC3)cn2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
PGR P06401 3/20 0.41
KDM2B Q8NHM5 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
KMO O15229 2/20 0.35
CPB2 Q96IY4 2/20 0.35
GRIN2B Q13224 1/20 0.35
EGFR P00533 2/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 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
SCHEMBL30716660 1.00 CNR1 (0.44) CNR1DRD2DRD4DRD3PGR
SCHEMBL15830635 0.76 DRD2 (0.50) CNR1DRD2DRD4DRD3KDM2B
SCHEMBL3875010 0.74 ALOX5AP (0.45)
SCHEMBL427009 0.73 HRH3 (0.42) MTORKCNH2
SCHEMBL15824627 0.71 MAPK14 (0.46) DRD2DRD4DRD3KDM2BPRKDC
SCHEMBL3478611 0.71 KDM2B (0.54) DRD2DRD4DRD3KDM2BMAPK14
SCHEMBL22614335 0.70 KDM1A (0.35) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL21428775 0.70 MAPK14 (0.42) PGREGFRPIK3CDABL1HCK
SCHEMBL427101 0.70 FAAH (0.61) KMOGRIN2BMAPK14
SCHEMBL21759157 0.70 TGFBR1 (0.45) CNR1DRD2DRD4DRD3KMO

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
CN-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 CN disclosed
US-11498920-B2 4-(1H-imidazol-5-yl)-1H-pyrrolo[2, 3-b] pyridines for use in the treatment of leukaemias, lymphomas and solid tumors MASARYKOVA UNIVERZITA (CZ) 2022-11-15 US disclosed
EP-3774795-B1 4-(1H- IMIDAZOL- 5- YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS UNIV MASARYKOVA (CZ) 2022-03-16 EP disclosed
EP-3774795-B1 4-(1H- IMIDAZOL- 5- YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS UNIV MASARYKOVA (CZ) 2022-03-16 EP disclosed
EP-3774795-A1 4-(1H- IMIDAZOL- 5- YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS Masarykova Univerzita (CZ) 2021-02-17 EP disclosed
US-20210040086-A1 4-(1H- IMIDAZOL- 5- YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS MASARYKOVA UNIVERZITA (CZ) 2021-02-11 US disclosed
US-20210040086-A1 4-(1H- IMIDAZOL- 5- YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS MASARYKOVA UNIVERZITA (CZ) 2021-02-11 US disclosed
CN-111936496-A Use of 4- (1H-imidazol-5-yl) -1H-pyrrolo [2,3-B ] pyridine for the treatment of leukemias, lymphomas and solid tumors 马萨里克大学 2020-11-13 CN disclosed
WO-2019185631-A1 4—(1H— IMIDAZOL— 5— YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS MASARYKOVA UNIVERZITA (CZ) 2019-10-03 WO disclosed
WO-2019185631-A1 4—(1H— IMIDAZOL— 5— YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS MASARYKOVA UNIVERZITA (CZ) 2019-10-03 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 (2 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-11498920-B2 4-(1H-imidazol-5-yl)-1H-pyrrolo[2, 3-b] pyridines for use in the treatment of leukaemias, lymphomas and solid tumors MALT1, BCL3, MCL1 CNR1 3081/4885DRD2 4340/4885DRD4 4079/4885
US-20210040086-A1 4-(1H- IMIDAZOL- 5- YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS MALT1, BCL3, MCL1 CNR1 3081/4885DRD2 4340/4885DRD4 4079/4885

“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.