SCHEMBL205154

SCHEMBL205154

CCCCCOc1ccc(Nc2nc(CN3CCN(C4CCCCCC4)CC3)cs2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 2/20 0.36
CDK4 P11802 5/20 0.36
CDK6 Q00534 5/20 0.36
MCHR1 Q99705 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
AXL P30530 2/20 0.34
KDR P35968 2/20 0.34
CCNT1 O60563 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK9 P50750 1/20 0.34
INSR P06213 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL250069 0.87 MEN1 (0.37) MCHR1MAPTMEN1KMT2ASPHK1
SCHEMBL248468 0.86 SPHK1 (0.43) CDK4CDK6MCHR1MAPTMEN1
SCHEMBL205781 0.85 NPC1 (0.41) CDK4CDK6MAPTMEN1KMT2A
SCHEMBL248376 0.85 SPHK1 (0.40) CDK4CDK6MCHR1MAPTMEN1
SCHEMBL206370 0.85 RAB9A (0.46) MAPTMEN1KMT2AAXLKDR
SCHEMBL205846 0.84 LMNA (0.46) GALR1MCHR1MAPTMEN1KMT2A
SCHEMBL250151 0.84 HRH1 (0.46) MCHR1MAPTMEN1KMT2AAXL
SCHEMBL2698483 0.83 CDK4 (0.44) CDK4CDK6MAPTMEN1KMT2A
SCHEMBL2697867 0.83 THRA (0.39) CDK4CDK6MCHR1MAPTMEN1
SCHEMBL207524 0.82 MAPT (0.37) CDK4CDK6MCHR1MAPTMEN1

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 9 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 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 GALR1 3925/4885CDK4 621/4885CDK6 1107/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 GALR1 3925/4885CDK4 621/4885CDK6 1107/4885

“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.