SCHEMBL17596266

SCHEMBL17596266

NNC(=O)c1cc(I)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.49
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 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
SCHEMBL14897947 0.83 KDM4D (0.50) PYGLPYGMKDM4ELOXL2ALDH1A1
SCHEMBL10199928 0.81 KDR (0.46) PYGLPYGMKDM4ECYP1A2CYP3A4
SCHEMBL6613121 0.81 MAP2K1 (0.44) PYGLPYGMLOXL2
SCHEMBL13382160 0.81 PARP1 (0.44) PYGLPYGMKDM4ELOXL2SMYD3
SCHEMBL27212647 0.79 P2RX7 (0.50) P2RX7KDM4EMPOCYP1A2CYP3A4
SCHEMBL7171815 0.79 KDM4E (0.57) P2RX7KDM4EMPOCYP1A2CYP3A4
SCHEMBL17850259 0.79 P2RX7 (0.50) P2RX7KDM4EMPOCYP1A2CYP3A4
SCHEMBL31345733 0.79 P2RX7 (0.50) P2RX7KDM4EMPOCYP1A2CYP3A4
SCHEMBL19918058 0.79 ADORA3 (0.45) PYGLPYGMKDM4EADORA3ALDH1A1
SCHEMBL107759 0.78 CTSA (0.50) P2RX7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338243-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-06-24 US disclosed
US-20220235062-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-28 US disclosed
EP-3191488-B1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2019-08-14 EP disclosed
US-20180118749-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
EP-3191488-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES Janssen Pharmaceutica, N.V. (BE) 2017-07-19 EP disclosed
WO-2016039983-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 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-20220235062-A1 P2X7 MODULATORS P2RX7, P2RX4, P2RX1 P2RX7 1/4885PYGL 1988/4885PYGM 1659/4885
US-12338243-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 P2RX7 1/4885PYGL 1988/4885PYGM 1659/4885
US-20180118749-A1 P2X7 MODULATORS P2RX7, P2RX3, P2RX1 P2RX7 1/4885PYGL 1700/4885PYGM 1060/4885

“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.