SCHEMBL19783328

SCHEMBL19783328

COCc1cnc2c(OCc3ccccc3)nc(C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
HTT P42858 2/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MPO P05164 2/20 0.39
TPO P07202 1/20 0.39
CYP3A4 P08684 1/20 0.39
EPX P11678 1/20 0.39
MGMT P16455 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
DAPK1 P53355 2/20 0.38
PIN1 Q13526 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL30189767 1.00 L3MBTL1 (0.44) L3MBTL1ALDH1A1TSHRATP4AATP4B
SCHEMBL19783554 0.76 LMNA (0.34) ALDH1A1POLBLMNAHPGD
SCHEMBL30189706 0.74 PDE10A (0.33) ALDH1A1LMNAHPGD
SCHEMBL19782543 0.74 PDE10A (0.33) ALDH1A1LMNAHPGD
SCHEMBL30189775 0.74 KDM4E (0.34) ALDH1A1SMN1; SMN2POLBLMNAHPGD
SCHEMBL19783559 0.74 KDM4E (0.34) ALDH1A1SMN1; SMN2POLBLMNAHPGD
SCHEMBL18571363 0.71 CYP3A4 (0.59) CYP3A4PDGFRBPDGFRAMAOB
SCHEMBL27301730 0.68 L3MBTL1 (0.56) L3MBTL1ALDH1A1TSHRATP4AATP4B
SCHEMBL3150525 0.68 CYP1A2 (0.52) HTTSTAT3SMN1; SMN2PDGFRBPDGFRA
SCHEMBL794 0.68

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
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-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 L3MBTL1 1998/4885ALDH1A1 1598/4885TSHR 1191/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 L3MBTL1 1728/4885ALDH1A1 1618/4885TSHR 1832/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 L3MBTL1 1998/4885ALDH1A1 1598/4885TSHR 1191/4885

“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.