SCHEMBL19966693

SCHEMBL19966693

CCCCC(C)(C)Nc1ccc2ncsc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDR P35968 4/20 0.42
INSR P06213 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
TEK Q02763 2/20 0.42
CSF1R P07333 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
TOP2A P11388 1/20 0.42
PLK1 P53350 1/20 0.41
IRAK4 Q9NWZ3 4/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39

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
SCHEMBL12257145 0.86 NPC1 (0.46) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12233413 0.82 TOP2A (0.54) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12256522 0.73 NPC1 (0.50) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL616687 0.71 IRAK4 (0.51) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL9178965 0.69 PKM (0.48) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL22071198 0.69 SMN1; SMN2 (0.50) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27610369 0.68 CLK1 (0.49) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL20311432 0.68 SYK (0.49) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5564384 0.68 DYRK1A (0.49) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL20195813 0.68 NPC1 (0.47) MEN1NPC1RAB9AKMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-12 US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 MEN1 3304/4885NPC1 2588/4885RAB9A 2264/4885
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors IRAK4, IRAK1, IRAK3 MEN1 3304/4885NPC1 2588/4885RAB9A 2264/4885

“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.