SCHEMBL14014120

SCHEMBL14014120

Cc1ccc(NC(=O)Nc2nc(C(C)(C)C)cs2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.80
NPC1 O15118 6/20 0.80
ALDH1A1 P00352 5/20 0.80
SMN1; SMN2 Q16637 4/20 0.80
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
MAPK1 P28482 3/20 0.80
POLB P06746 2/20 0.80
MAPT P10636 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
FLT3 P36888 1/20 0.55

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
SCHEMBL13234810 0.92 NPC1 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL22103784 0.89 RAB9A (0.76) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10078887 0.89 MEN1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL20788543 0.88 NPC1 (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL20791858 0.81 SMN1; SMN2 (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3790984 0.80 NPC1 (0.66) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5459405 0.80 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL77497 0.79 NPC1 (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5459850 0.79 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13234609 0.79 KMT2A (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 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-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR RAB9A 4166/4885NPC1 4782/4885ALDH1A1 1144/4885

“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.