SCHEMBL19783377

SCHEMBL19783377

COc1cc(C2CC2)c2nc(NC(=O)OC(C)(C)C)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.48
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DYRK1A Q13627 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ITK Q08881 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
SCHEMBL30189854 1.00 LCK (0.48) LCKNPC1RAB9AMAPTTSHR
SCHEMBL19783378 0.83 LCK (0.52) LCKNPC1RAB9AMAPTTSHR
SCHEMBL30189684 0.83 LCK (0.52) LCKNPC1RAB9AMAPTTSHR
SCHEMBL19783154 0.74 NPC1 (0.34) NPC1RAB9AMAPTNPSR1DYRK1A
SCHEMBL30189685 0.74 NPC1 (0.34) NPC1RAB9AMAPTNPSR1DYRK1A
SCHEMBL19783253 0.74 CA12 (0.41) DYRK1A
SCHEMBL19630817 0.71 LCK (0.54) LCKNPC1RAB9ANPSR1RXFP1
SCHEMBL30189609 0.71 CYP3A4 (0.48) MAPTTSHRCYP1A2CYP3A4CYP2C19
SCHEMBL19782548 0.71 CYP3A4 (0.48) MAPTTSHRCYP1A2CYP3A4CYP2C19
SCHEMBL19631099 0.70 LCK (0.44) LCKNPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 LCK 3039/4885NPC1 2639/4885RAB9A 667/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 LCK 2435/4885NPC1 2194/4885RAB9A 748/4885

“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.