SCHEMBL5774021

SCHEMBL5774021

Cc1cccc2c(-c3nc(C(=O)N4CCN(c5ccncc5)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 1/20 0.37
TACR3 P29371 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5872965 0.91 KMT2A (0.43) NPC1ALDH1A1KMT2AHTTMEN1
SCHEMBL5795447 0.90 PIM1 (0.41) ALDH1A1HTTDRD2DRD3PIM1
SCHEMBL5873025 0.90 ALDH1A1 (0.43) NPC1ALDH1A1KMT2AHTTMEN1
SCHEMBL5773190 0.89 HTR2C (0.45) NPC1ALDH1A1KMT2AHTTMEN1
SCHEMBL5872880 0.89 CYP2C9 (0.43) ALDH1A1HTTNPSR1TSHRHPGD
SCHEMBL5873061 0.89 KDM4E (0.41) ALDH1A1PARP1TACR3DRD2DRD3
SCHEMBL5872872 0.88 MKNK1 (0.45) HTTLMNADRD2DRD3PIM1
SCHEMBL5769674 0.85 PIM1 (0.40) ALDH1A1HTTMAPTGAALMNA
SCHEMBL5872940 0.85 MKNK1 (0.42) HPGDPARP1DRD2DRD3CYP2C9
SCHEMBL5772558 0.85 ADORA2A (0.39) HTTLMNAPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NPC1 3508/4885ALDH1A1 2272/4885KMT2A 3223/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NPC1 3508/4885ALDH1A1 2272/4885KMT2A 3223/4885

“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.