SCHEMBL1855729

SCHEMBL1855729

Nc1[nH]nc(-c2cnc3ccccc3c2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
PIM3 Q86V86 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
BMPR1B O00238 1/20 0.49
PIK3C2G O75747 1/20 0.49
CDKL5 O76039 1/20 0.49
TYK2 P29597 1/20 0.49
CLK2 P49760 1/20 0.49
DYRK1A Q13627 1/20 0.49
STK32B Q9NY57 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
IRAK3 Q9Y616 1/20 0.49
NISCH Q9Y2I1 1/20 0.46
PDGFRB P09619 3/20 0.45
PDGFRA P16234 3/20 0.45
KMT2A Q03164 2/20 0.43
CYP2A6 P11509 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43

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 SCHEMBL1854301 0.99 PIM1 (0.50) PIM1PIM3PIM2BMPR1BPIK3C2G
SCHEMBL1853610 0.82 NPC1 (0.54) DYRK1API4KBKMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL1852223 0.81 NPC1 (0.53) DYRK1API4KBKMT2AMAPTMEN1
SCHEMBL17179205 0.75 PIM1 (0.60) PIM1PIM3PIM2BMPR1BPIK3C2G
SCHEMBL16068645 0.74 ALDH1A1 (0.53) CLK2DYRK1AKMT2AGAAMAPT
Ether SCHEMBL1864755 0.73 MAPT (0.44) DYRK1API4KBMAPTPOLBPIK3CA
SCHEMBL2772360 0.72 PDGFRB (0.77) NISCHPDGFRBPDGFRACYP2A6MAPT
SCHEMBL32667946 0.72 PDGFRB (0.77) NISCHPDGFRBPDGFRACYP2A6MAPT
SCHEMBL1854414 0.72 PDGFRB (0.49) PIM1PIM3PIM2BMPR1BPIK3C2G
SCHEMBL16200195 0.71 PDGFRB (0.49) PIM1PIM3PIM2BMPR1BPIK3C2G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 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-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 PIM1 4716/4885PIM3 4472/4885PIM2 4602/4885

“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.