SCHEMBL204698

SCHEMBL204698

c1cncc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.90
CYP1A2 P05177 8/20 0.90
CYP1B1 Q16678 8/20 0.90
ALOX5 P09917 1/20 0.67
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
MAPT P10636 4/20 0.64
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
GAA P10253 2/20 0.64
LMNA P02545 1/20 0.64
PKM P14618 1/20 0.64
VCP P55072 1/20 0.64
MAPK1 P28482 2/20 0.62
NPC1 O15118 4/20 0.60
TP53 P04637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.58
CASP3 P42574 1/20 0.57

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
SCHEMBL28716321 0.95 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1ALOX5MEN1
SCHEMBL29654148 0.95 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1ALOX5MEN1
SCHEMBL206574 0.90 CYP1A1 (0.74) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL207164 0.86 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1ALOX5MEN1
SCHEMBL24107872 0.83 LMNA (0.75) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL30263222 0.83 LMNA (0.75) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL28701565 0.82 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1ALOX5
SCHEMBL28707145 0.82 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1ALOX5MEN1
SCHEMBL12298057 0.81 ALOX5 (0.71) CYP1A1CYP1A2CYP1B1ALOX5
SCHEMBL205257 0.80 MEN1 (0.67) CYP1A1CYP1A2CYP1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 CYP1A1 212/4885CYP1A2 603/4885CYP1B1 235/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CYP1A1 212/4885CYP1A2 603/4885CYP1B1 235/4885

“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.