SCHEMBL754044

SCHEMBL754044

Clc1ccn2cc(Cl)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
USP30 Q70CQ3 1/20 0.36
AHR P35869 1/20 0.34
KDM4E B2RXH2 5/20 0.33
SUV39H2 Q9H5I1 3/20 0.33
MAPT P10636 2/20 0.33
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
PARP1 P09874 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR9 Q9NR96 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL20602303 0.80 AHR (0.39) AKR1B1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8811617 0.80 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15004605 0.80 HDAC1 (0.47) AKR1B1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12778735 0.80 AKR1B1 (0.36) AKR1B1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL10587746 0.77 AKR1B1 (0.45) AKR1B1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL17229376 0.76 AKR1B1 (0.44) AKR1B1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL20620676 0.76 TTR (0.33) AKR1B1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL20619247 0.76 PDE10A (0.44) AKR1B1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1691462 0.76 RAB9A (0.66) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12780463 0.76 AKR1B1 (0.37) AKR1B1NPC1RAB9ASMN1; SMN2TP53

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-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO disclosed
US-6214801-B1 INHIBITION OF DNA OR RNA VIRAL PROLIFERATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2001-04-10 US disclosed
WO-1997027205-A1 IMIDAZO[1,2-A]PYRIDINE C-NUCLEOSIDES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-07-31 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD AKR1B1 3488/4885NPC1 732/4885RAB9A 677/4885

“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.