SCHEMBL19906464

SCHEMBL19906464

O=c1nc(Cl)n(Cc2ccccc2)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.55
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BRD4 O60885 2/20 0.41
KDM4C Q9H3R0 1/20 0.40
ADRA1D P25100 1/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
CTRC Q99895 1/20 0.39
PNP P00491 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL19906947 0.83 P2RX7 (0.56) P2RX7HPGD
SCHEMBL19906592 0.81 P2RX7 (0.55) P2RX7BRD4GAAPKMTSHR
SCHEMBL19907176 0.81 P2RX7 (0.56) P2RX7
SCHEMBL19906468 0.81 P2RX7 (0.57) P2RX7BRD4HPGD
SCHEMBL19906588 0.77 P2RX7 (0.64) P2RX7
SCHEMBL5267849 0.73 P2RX7 (0.45) P2RX7MEN1KMT2ABRD4ADRA1D
SCHEMBL9691998 0.73 BRD4 (0.50) P2RX7BRD4HPGDGAAPKM
SCHEMBL19906465 0.72 P2RX7 (1.00) P2RX7
SCHEMBL19906534 0.72 P2RX7 (1.00) P2RX7
SCHEMBL19907209 0.70 P2RX7 (1.00) P2RX7

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-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2018-05-03 US disclosed
EP-3287443-A1 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Shionogi & Co., Ltd (JP) 2018-02-28 EP 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 (1 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-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S P2RX7 1497/4885MEN1 382/4885KMT2A 957/4885

“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.