SCHEMBL19782660

SCHEMBL19782660

COC(=O)C(C)Oc1cc2sc(Br)nc2c(Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.37
PLAU P00749 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP14 Q460N5 2/20 0.32
HPGD P15428 3/20 0.31
TNF P01375 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
MCL1 Q07820 2/20 0.31
NOD1 Q9Y239 2/20 0.31
NOD2 Q9HC29 1/20 0.31
POLB P06746 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL19782420 0.82 F9 (0.40) F9PLAUALDH1A1SMN1; SMN2GAA
SCHEMBL19783141 0.81
SCHEMBL19783064 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL19782970 0.78 LMNA (0.44) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL21395995 0.74 MEN1 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL31114003 0.74 MEN1 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL19783084 0.73 PKM (0.42) PLAUALDH1A1KDM4EMAPTHPGD
SCHEMBL19783123 0.70 S1PR4 (0.32)
SCHEMBL22281011 0.69 F9 (0.39) F9PLAUALDH1A1SMN1; SMN2GAA
SCHEMBL30685338 0.69 F9 (0.39) F9PLAUALDH1A1SMN1; SMN2GAA

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 5 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
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 F9 33/4885PLAU 60/4885ALDH1A1 1618/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 F9 51/4885PLAU 68/4885ALDH1A1 1598/4885

“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.