SCHEMBL3287249

SCHEMBL3287249

c1nc(N2CCCCC2)c2[nH]cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 1.00
AKT2 P31751 6/20 1.00
LMNA P02545 3/20 1.00
ALOX15 P16050 2/20 1.00
MAP3K5 Q99683 1/20 1.00
MAPK1 P28482 4/20 0.97
TP53 P04637 1/20 0.97
CHEK1 O14757 3/20 0.71
PDPK1 O15530 1/20 0.71
PAK1 Q13153 1/20 0.71
HRH4 Q9H3N8 1/20 0.71
PTK2B Q14289 1/20 0.68
HSD17B10 Q99714 4/20 0.62
MAPT P10636 4/20 0.62
TSHR P16473 3/20 0.62
AURKA O14965 2/20 0.62
RPS6KA5 O75582 2/20 0.62
CHEK2 O96017 2/20 0.62
MAPK3 P27361 2/20 0.62
AKT1 P31749 2/20 0.62

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
SCHEMBL9095854 0.98 HTT (1.00) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL6755685 0.91 HTT (0.86) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL29898244 0.91 HTT (0.86) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL12048138 0.91 HTT (0.86) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL1030420 0.85 HTT (0.76) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL336613 0.83 MAPK1 (1.00) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL31713036 0.81 PTK2B (1.00) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL12048165 0.81 HTT (0.69) HTTAKT2LMNAALOX15MAP3K5
Hydrochloric Acid SCHEMBL5219673 0.80 AKT2 (0.97) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL2301186 0.80 HTT (0.75) HTTAKT2LMNAALOX15MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119855813-A Pyridazinone-derived compounds for modulating MYC and for medical use 遗传智力公司 2025-04-18 CN disclosed
EP-0821690-B1 Nucleotide analogues for the treatment of viral infections USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY (CZ) 2012-06-13 EP disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
US-5977061-A VIRICIDE AGAINST DNA VIRUSES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1999-11-02 US disclosed
EP-0821690-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 1998-02-04 EP disclosed
US-5574149-A Method of treating HIV infections with 2',3'-dideoxy-3'-fluoro-5-chlorouridine GLAXO WELLCOME INC. (US) 1996-11-12 US disclosed
WO-1996033200-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED C^¿ESKÉ REPUBLIKY (CZ) 1996-10-24 WO disclosed
EP-0670328-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-06 EP disclosed
EP-0669341-A1 Therapeutic Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-30 EP disclosed
WO-1992003122-A1 PREPARATION FOR APPLICATION OF ACTIVE SUBSTANCES IN THE FORM OF MINIMUM-SIZED DROPLETS CEVC GREGOR (DE) 1992-03-05 WO disclosed
EP-0317128-A2 Anti-HIV Pyrimidine Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-24 EP disclosed
US-3996361-A ANTIEDEMATOUS, REDUCING CAPILLARY PERMEABILITY BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-12-07 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 HTT 4108/4885AKT2 3163/4885LMNA 4252/4885

“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.