SCHEMBL3821583

SCHEMBL3821583

CNC(=O)c1ccc(C)c(-c2nc(-c3cnccc3C)cs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
CYP19A1 P11511 1/20 0.45
CCR6 P51684 1/20 0.44
HPGD P15428 1/20 0.42
MAPK14 Q16539 2/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
KDR P35968 1/20 0.42
RPS6KA3 P51812 1/20 0.41
MAP4K1 Q92918 2/20 0.41
ABL1 P00519 4/20 0.40
CYP17A1 P05093 1/20 0.40
EIF4E P06730 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38

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
SCHEMBL3819141 0.91 RPS6KA3 (0.45) SMN1; SMN2NPC1MAPTRAB9ACYP19A1
SCHEMBL3824420 0.90 SMN1; SMN2 (0.42) SMN1; SMN2NPC1MAPTRAB9ACYP19A1
SCHEMBL3818224 0.88 RAB9A (0.61) SMN1; SMN2NPC1MAPTRAB9ACYP19A1
SCHEMBL3818679 0.87 CYP19A1 (0.53) SMN1; SMN2NPC1MAPTRAB9ACYP19A1
SCHEMBL3821216 0.86 MAPT (0.47) SMN1; SMN2NPC1MAPTRAB9ACYP19A1
SCHEMBL3818338 0.86 CYP19A1 (0.44) SMN1; SMN2CYP19A1CCR6MAPK14LCK
SCHEMBL3818427 0.85 CYP19A1 (0.48) SMN1; SMN2NPC1MAPTRAB9ACYP19A1
SCHEMBL3819943 0.84 CYP19A1 (0.55) SMN1; SMN2NPC1MAPTRAB9ACYP19A1
SCHEMBL3823584 0.84 CYP19A1 (0.43) SMN1; SMN2CYP19A1CCR6ABL1CYP17A1
SCHEMBL3814181 0.80 CDK5 (0.54) NPC1RAB9AHPGDEIF4E

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
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 SMN1; SMN2 4849/4885NPC1 2076/4885MAPT 4618/4885

“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.