SCHEMBL17139869

SCHEMBL17139869

CC(O)(C1CC1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
GRIN2B Q13224 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A3 Q01959 1/20 0.39
SLC18A3 Q16572 1/20 0.39
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ACKR3 P25106 1/20 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
SCHEMBL15715169 1.00 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL15689171 1.00 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL1543571 0.90 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL384806 0.90 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL384805 0.90 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL21222468 0.85 NR1H2 (0.43) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL21222467 0.85 NR1H2 (0.43) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL14639323 0.84 YTHDC1 (0.41) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL14639324 0.84 YTHDC1 (0.41) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL14639325 0.84 YTHDC1 (0.41) YTHDC1SLC6A2SLC6A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20180370956-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-12-27 US disclosed
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-27 US disclosed
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
EP-2917206-B1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 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 (5 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-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 YTHDC1 2275/4885SLC6A2 4405/4885SLC6A4 2497/4885
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 YTHDC1 2332/4885SLC6A2 4189/4885SLC6A4 2401/4885
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 YTHDC1 2275/4885SLC6A2 4405/4885SLC6A4 2497/4885
US-20180370956-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 YTHDC1 2275/4885SLC6A2 4405/4885SLC6A4 2497/4885
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 YTHDC1 2275/4885SLC6A2 4405/4885SLC6A4 2497/4885

“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.