SCHEMBL4264238

SCHEMBL4264238

N#CN=C(Nc1cccnc1)NC1(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ABCC9 O60706 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
LMNA P02545 2/20 0.41
NAMPT P43490 4/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.40
DYRK1A Q13627 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
SCHEMBL13949288 1.00 P2RX7 (0.43) P2RX7NPC1RAB9APKMKMT2A
SCHEMBL7357917 0.95 P2RX7 (0.41) P2RX7NPC1RAB9APKMKMT2A
SCHEMBL4259491 0.95 P2RX7 (0.41) P2RX7NPC1RAB9APKMKMT2A
SCHEMBL13949283 0.95 P2RX7 (0.41) P2RX7NPC1RAB9APKMKMT2A
SCHEMBL7354870 0.91 P2RX7 (0.41) P2RX7NPC1RAB9APKMKMT2A
SCHEMBL7354869 0.91 P2RX7 (0.41) P2RX7NPC1RAB9APKMKMT2A
SCHEMBL7348975 0.83 ALDH1A1 (0.43) P2RX7NPC1PKMKMT2AMEN1
SCHEMBL7348973 0.83 ALDH1A1 (0.43) P2RX7NPC1PKMKMT2AMEN1
SCHEMBL11156357 0.82 RAB9A (0.57) P2RX7NPC1RAB9APKMKMT2A
SCHEMBL7360161 0.81 P2RX7 (0.43) P2RX7NPC1RAB9APKMKMT2A

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-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 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-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels PYGB, PC, KCNN3 P2RX7 527/4885NPC1 381/4885RAB9A 2816/4885
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels PC, LIPE, ATP5ME P2RX7 1441/4885NPC1 58/4885RAB9A 3215/4885

“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.