SCHEMBL19783016

SCHEMBL19783016

NCCOc1cc2sc(Br)nc2c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1B P28222 1/20 0.31
ILK Q13418 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
Hydrochloric Acid SCHEMBL21379366 0.99 ALDH1A1 (0.40) ALDH1A1LMNAPOLBKDM4EMAPT
SCHEMBL19783430 0.83 ALDH1A1 (0.38) ALDH1A1LMNAPOLBKDM4EMAPT
SCHEMBL19782409 0.76 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EMAPTMEN1
SCHEMBL3071959 0.73 ALDH1A1 (0.63) ALDH1A1LMNAPOLBKDM4EMAPT
SCHEMBL19783123 0.73 S1PR4 (0.32)
SCHEMBL19783081 0.73 MKNK2 (0.32) KMT2A
SCHEMBL19783453 0.72 SCN9A (0.41) KDM4E
SCHEMBL30189754 0.71 HSD17B10 (0.37) ALDH1A1LMNAKDM4EMAPTRAB9A
SCHEMBL19783059 0.71 HSD17B10 (0.37) ALDH1A1LMNAKDM4EMAPTRAB9A
SCHEMBL19783180 0.67 ALDH1A1 (0.42) ALDH1A1LMNAPOLBMAPTMEN1

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 ALDH1A1 1618/4885LMNA 745/4885POLB 2313/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885LMNA 603/4885POLB 2406/4885

“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.