SCHEMBL5772763

SCHEMBL5772763

COc1cccc(-c2csc(-c3n[nH]c4ccccc34)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
SREBF2 Q12772 1/20 0.52
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP1A2 P05177 2/20 0.50
ITK Q08881 2/20 0.49
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 1/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
PRSS1 P07477 1/20 0.48
C1S P09871 1/20 0.48
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46

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
SCHEMBL5767848 0.87 CYP19A1 (0.54) CYP19A1SREBF2CYP1A1CYP1B1ITK
SCHEMBL5772080 0.83 KDM4E (0.60) SREBF2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15622271 0.83 AURKA (0.60) CYP1A2ITKALDH1A1SMN1; SMN2MAPK1
SCHEMBL5767752 0.82 KDM4E (0.51) CYP1A1CYP1B1CYP1A2ITKALDH1A1
SCHEMBL5873071 0.82 MAPT (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5873083 0.82 NPC1 (0.50) CYP1A2ITKALDH1A1NPC1RAB9A
SCHEMBL5769985 0.80 MAP2K4 (0.71) CYP19A1ITKALDH1A1NPC1RAB9A
SCHEMBL5769801 0.79 ITK (0.48) CYP1A2ITKALDH1A1RAB9ASMN1; SMN2
SCHEMBL1180783 0.79 CYP19A1 (0.76) CYP19A1SREBF2CYP1A1CYP1B1CYP1A2
SCHEMBL5777148 0.78 KDM4E (0.63) SREBF2ITKALDH1A1NPC1RAB9A

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 CYP19A1 2148/4885SREBF2 2856/4885CYP1A1 1245/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CYP19A1 2148/4885SREBF2 2856/4885CYP1A1 1245/4885

“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.