SCHEMBL3302869

SCHEMBL3302869

O=C(OCCF)c1ccc2nc(-c3ccc(F)nc3)cn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
KDM4E B2RXH2 7/20 0.47
GLA P06280 1/20 0.47
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A3 P47895 3/20 0.43
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
DYRK1A Q13627 2/20 0.38
JAK2 O60674 1/20 0.38
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
GSK3A P49840 1/20 0.38
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL3296178 0.86 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL3305487 0.86 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL3298658 0.83 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL2128899 0.71 ALDH1A1 (0.72) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL12970525 0.71 APP (0.54) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL3500247 0.71 NPC1 (0.56) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL3302705 0.70 APP (0.61) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL3299202 0.70 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL3300710 0.69 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL10468516 0.69 NPC1 (0.61) ALDH1A1NPC1RAB9AKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100092385-A1 Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives ASTRAZENECA AB (SE) 2010-04-15 US claimed
US-20100092385-A1 Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100092385-A1 Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100092385-A1 Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2008091195-A1 NOVEL HETEROARYL SUBSTITUTED IMIDAZO [1,2 -A] PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-07-31 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-20100092385-A1 Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives APP, PSEN1, PSEN2 ALDH1A1 1631/4885NPC1 189/4885RAB9A 1145/4885

“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.