SCHEMBL19138243

SCHEMBL19138243

O=CCC(F)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PNP P00491 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CNR2 P34972 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA2 P00918 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCHR1 Q99705 1/20 0.34
PTPN1 P18031 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL19138242 1.00 TDP1 (0.39) TDP1PNPKDM4EALDH1A1TSHR
SCHEMBL6251771 0.83 ALDH1A1 (0.44) KDM4EALDH1A1TSHRCNR2CA2
SCHEMBL83748 0.80 PNP (0.43) TDP1PNPKDM4EALDH1A1TSHR
SCHEMBL3439186 0.80 PNP (0.43) TDP1PNPKDM4EALDH1A1TSHR
SCHEMBL13657504 0.80 PNP (0.43) TDP1PNPKDM4EALDH1A1TSHR
SCHEMBL12881360 0.78 SLC6A2 (0.44) KDM4EALDH1A1TSHRCNR2PTPN1
SCHEMBL28586963 0.78 ALDH1A1 (0.40) KDM4EALDH1A1TSHRCNR2CA2
SCHEMBL29057663 0.77 AOC3 (0.41) KDM4EALDH1A1TSHRCNR2CA2
SCHEMBL10315714 0.77 KDM4E (0.46) KDM4EALDH1A1TSHRCNR2CYP1A2
SCHEMBL25348200 0.75 TSHR (0.52) TDP1KDM4EALDH1A1TSHRCNR2

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-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

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-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 TDP1 1238/4885PNP 2025/4885KDM4E 124/4885
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 TDP1 1238/4885PNP 2025/4885KDM4E 124/4885

“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.