SCHEMBL17595643

SCHEMBL17595643

Cc1nnc2n1CCNC2c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
P2RX7 Q99572 1/20 0.38
PRCP P42785 2/20 0.36
GID4 Q8IVV7 3/20 0.36
TACR3 P29371 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
AVPR1A P37288 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
KDM1A O60341 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KHK P50053 1/20 0.32

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
SCHEMBL29794136 0.80 ALDH1A1 (0.40) KDM4EALDH1A1P2RX7TACR3AVPR1A
SCHEMBL17596684 0.80 ALDH1A1 (0.40) KDM4EALDH1A1P2RX7TACR3AVPR1A
SCHEMBL17596674 0.78 KDM4E (0.40) KDM4EALDH1A1PRCPGID4GAA
SCHEMBL20099703 0.77 SLC22A1 (0.41) PRCPAVPR1A
SCHEMBL930180 0.73 TACR3 (0.54) TACR3
SCHEMBL27841532 0.71 KDM4E (0.53) KDM4EALDH1A1PRCPGID4GAA
SCHEMBL21239650 0.71 P2RX7 (0.47) ALDH1A1P2RX7PRCPAVPR1A
SCHEMBL27859173 0.69 KDM4E (0.43) KDM4EALDH1A1PRCPGID4GAA
SCHEMBL9730970 0.68 PRCP (0.46) P2RX7PRCPGAA
SCHEMBL28874879 0.68 ALDH1A1 (0.46) KDM4EALDH1A1PRCPGID4GAA

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
EP-3191488-B1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2019-08-14 EP 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
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 (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-20180118749-A1 P2X7 MODULATORS P2RX7, P2RX3, P2RX1 KDM4E 4018/4885ALDH1A1 1539/4885P2RX7 1/4885

“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.