SCHEMBL19966718

SCHEMBL19966718

CC(C)c1ccc2nc(CC(C)c3ccc4nsnc4c3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SCN4A P35499 1/20 0.49
AKR1B1 P15121 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX5 P09917 1/20 0.37
LRRK2 Q5S007 1/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPY1R P25929 1/20 0.34
HTT P42858 1/20 0.34
NPY2R P49146 1/20 0.34
DCUN1D1 Q96GG9 2/20 0.33
GAA P10253 2/20 0.33
UBE2M P61081 1/20 0.33
MAPK1 P28482 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
SCHEMBL24420726 0.84 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2SCN4AAKR1B1
SCHEMBL19966707 0.84 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2SCN4AAKR1B1
SCHEMBL19308856 0.81 NPC1 (0.48) RAB9ANPC1SMN1; SMN2SCN4AAKR1B1
SCHEMBL26339590 0.80 NPC1 (0.44) RAB9ANPC1SMN1; SMN2SCN4AAKR1B1
SCHEMBL20098045 0.78 NPC1 (0.45) RAB9ANPC1SMN1; SMN2SCN4AAKR1B1
SCHEMBL9967690 0.77 PTPN11 (0.48) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL19954923 0.77 NPC1 (0.40) RAB9ANPC1SMN1; SMN2SCN4AAKR1B1
SCHEMBL19966819 0.76 NPC1 (0.43) RAB9ANPC1SMN1; SMN2SCN4AAKR1B1
SCHEMBL13393613 0.76 RAB9A (0.61) RAB9ANPC1SMN1; SMN2SCN4AAKR1B1
SCHEMBL24344829 0.74 NPC1 (0.39) RAB9ANPC1SMN1; SMN2SCN4AAKR1B1

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 RAB9A 2264/4885NPC1 2588/4885SMN1; SMN2 2604/4885
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors IRAK4, IRAK1, IRAK3 RAB9A 2264/4885NPC1 2588/4885SMN1; SMN2 2604/4885

“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.