SCHEMBL4246098

SCHEMBL4246098

Cc1c(-c2csc(Nc3n[nH]c4ccccc34)n2)cnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
PTGS2 P35354 3/20 0.40
CHEK1 O14757 2/20 0.40
GRM2 Q14416 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GRM4 Q14833 2/20 0.39
THRB P10828 1/20 0.39
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
SCN9A Q15858 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 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
SCHEMBL4234726 0.82 CCR4 (0.42) PTGS2MEN1KMT2AALDH1A1MAPT
SCHEMBL4239559 0.81 PLAU (0.52) PTGS2MEN1KMT2AALDH1A1MAPT
SCHEMBL4064802 0.79 CCR4 (0.58) PTGS2GRM2MEN1KMT2AALDH1A1
SCHEMBL12297732 0.79 HTR3A (0.44) PTGS2GRM2GRM4
SCHEMBL4233688 0.78 MEN1 (0.50) PTGS2MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6930064 0.77 PTGS2 (0.46) PTGS2GRM2MEN1KMT2AALDH1A1
SCHEMBL4065329 0.77 PKM (0.47) PTGS2GRM2MEN1KMT2AALDH1A1
SCHEMBL4239615 0.76 PLAU (0.44) PTGS2GRM2MEN1KMT2AALDH1A1
SCHEMBL12298170 0.76 MAPT (0.54) GRM2MEN1KMT2AALDH1A1MAPT
SCHEMBL4242424 0.76 ALOX5 (0.54) PTGS2MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
WO-2009010871-A2 PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR ADDEX PHARMA S.A. (CH) 2009-01-22 WO disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 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-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 AURKA 4325/4885PTGS2 2353/4885CHEK1 4467/4885

“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.