SCHEMBL206828

SCHEMBL206828

CCCCc1ccc2nc(Nc3nc(-c4cccnc4)cs3)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CASP3 P42574 10/20 0.50
SENP8 Q96LD8 10/20 0.50
SENP7 Q9BQF6 10/20 0.50
SENP6 Q9GZR1 10/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 5/20 0.48
PCSK9 Q8NBP7 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL207484 0.85 GAA (0.65) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2705634 0.82 CASP3 (0.43) RAB9AMAPTSMN1; SMN2CASP3SENP8
SCHEMBL206589 0.81 MEN1 (0.67) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL207318 0.81 NPC1 (0.67) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL206426 0.81 SLC2A1 (0.66) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL205189 0.79 MEN1 (0.66) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL206917 0.79 NPC1 (0.61) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL207008 0.78 MEN1 (0.65) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL206136 0.78 MEN1 (0.65) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL205525 0.78 MEN1 (0.65) RAB9AMEN1KMT2AMAPTSMN1; SMN2

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 6 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-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 RAB9A 1357/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885MEN1 3862/4885KMT2A 3476/4885

“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.