SCHEMBL3640774

SCHEMBL3640774

Fc1cccc(CNc2nc(N3CCCCC3)nc3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.63
HRH4 Q9H3N8 4/20 0.61
PDE5A O76074 2/20 0.61
CTNNB1 P35222 4/20 0.61
TCF7L2 Q9NQB0 4/20 0.61
CCNE2 O96020 1/20 0.60
CCNE1 P24864 1/20 0.60
CDK2 P24941 1/20 0.60
KDM4E B2RXH2 5/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
GLA P06280 3/20 0.59
GAA P10253 3/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
THRB P10828 1/20 0.59

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
SCHEMBL3642983 0.96 CTNNB1 (0.68) APPHRH4PDE5ACTNNB1TCF7L2
SCHEMBL2592377 0.88 PDE5A (0.77) HRH4PDE5ACTNNB1TCF7L2KDM4E
SCHEMBL3639211 0.88 PDE5A (0.77) HRH4PDE5ACTNNB1TCF7L2KDM4E
SCHEMBL3641690 0.87 CTNNB1 (0.76) APPHRH4PDE5ACTNNB1TCF7L2
SCHEMBL3643346 0.87 PDE5A (0.79) APPHRH4PDE5ACTNNB1TCF7L2
SCHEMBL3643279 0.87 HRH4 (0.62) HRH4PDE5ACTNNB1TCF7L2KDM4E
SCHEMBL3637905 0.87 APP (0.63) APPHRH4PDE5ACTNNB1TCF7L2
SCHEMBL27808565 0.87 HRH4 (0.65) APPHRH4PDE5ACTNNB1TCF7L2
SCHEMBL3639927 0.86 CTNNB1 (0.76) APPHRH4PDE5ACTNNB1TCF7L2
SCHEMBL3645645 0.86 APP (0.65) APPHRH4PDE5ACTNNB1TCF7L2

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
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN 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 APP 3840/4885HRH4 360/4885PDE5A 2048/4885

“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.