SCHEMBL3305487

SCHEMBL3305487

CN(C)c1ccc(-c2cn3cc(C(=O)OCCF)ccc3n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
NPC1 O15118 7/20 0.45
KDM4E B2RXH2 7/20 0.45
RAB9A P51151 6/20 0.45
GLA P06280 1/20 0.45
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
APP P05067 10/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A3 P47895 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL3302869 0.86 ALDH1A1 (0.47) ALDH1A1NPC1KDM4ERAB9AGLA
SCHEMBL3300710 0.85 ALDH1A1 (0.61) ALDH1A1NPC1KDM4ERAB9AGLA
SCHEMBL3296178 0.84 ALDH1A1 (0.47) ALDH1A1NPC1KDM4ERAB9AGLA
SCHEMBL14067364 0.75 APP (0.67) ALDH1A1NPC1KDM4ERAB9AAPP
SCHEMBL3431380 0.75 APP (0.67) ALDH1A1NPC1KDM4ERAB9APOLB
SCHEMBL3305627 0.73 APP (0.68) ALDH1A1NPC1KDM4ERAB9APOLB
SCHEMBL14067366 0.73 APP (0.67) ALDH1A1NPC1KDM4ERAB9AAPP
SCHEMBL3302541 0.73 APP (0.49) ALDH1A1NPC1KDM4ERAB9AAPP
SCHEMBL3298658 0.72 ALDH1A1 (0.65) ALDH1A1NPC1KDM4ERAB9AGLA
SCHEMBL3296861 0.72 ALDH1A1 (0.53) ALDH1A1NPC1KDM4ERAB9AGLA

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 7 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
EP-2125800-A1 NOVEL HETEROARYL SUBSTITUTED IMIDAZO Ý1,2 -A¨PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2009-12-02 EP claimed
WO-2008091195-A1 NOVEL HETEROARYL SUBSTITUTED IMIDAZO [1,2 -A] PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-07-31 WO 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 189/4885KDM4E 3283/4885

“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.