SCHEMBL3636779

SCHEMBL3636779

CCCNc1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 1.00
APP P05067 9/20 1.00
BCHE P06276 8/20 1.00
RAD52 P43351 1/20 0.80
KDM4E B2RXH2 1/20 0.78
ALDH1A1 P00352 1/20 0.78
LMNA P02545 1/20 0.78
MAPT P10636 1/20 0.78
PKM P14618 1/20 0.78
UBE2N P61088 1/20 0.78
KMT2A Q03164 1/20 0.78
NPSR1 Q6W5P4 1/20 0.78
RCE1 Q9Y256 1/20 0.78
CASP6 P55212 1/20 0.78
CTNNB1 P35222 2/20 0.63
TCF7L2 Q9NQB0 2/20 0.63

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
SCHEMBL16280667 0.92 CASP6 (0.92) ACHEAPPBCHERAD52KDM4E
SCHEMBL12175837 0.89 RAD52 (1.00) ACHEAPPBCHERAD52KDM4E
SCHEMBL3639768 0.84 RAD52 (0.82) ACHEAPPBCHERAD52KDM4E
SCHEMBL16280669 0.84 ACHE (1.00) ACHEAPPBCHERAD52KDM4E
SCHEMBL8892633 0.83 RAD52 (0.76) ACHEAPPBCHERAD52KDM4E
SCHEMBL16280679 0.82 ACHE (0.80) ACHEAPPBCHERAD52KDM4E
SCHEMBL23748460 0.81 RAD52 (0.77) ACHEAPPBCHERAD52KDM4E
SCHEMBL2583542 0.81 RAD52 (0.82) ACHEAPPBCHERAD52KDM4E
SCHEMBL2590671 0.81 RAD52 (0.82) ACHEAPPBCHERAD52KDM4E
SCHEMBL2590855 0.81 RAD52 (0.82) ACHEAPPBCHERAD52KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US claimed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP claimed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 WO claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 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 (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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 ACHE 2789/4885APP 3840/4885BCHE 3374/4885

“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.