SCHEMBL3363776

SCHEMBL3363776

CCCCC=Nc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ABCB1 P08183 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 5/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL6375021 0.89 NOS3 (0.42) NOS3NOS1NOS2LMNAMAPT
SCHEMBL6603664 0.73 NOS3 (0.44) NOS3NOS1NOS2LMNAMAPT
SCHEMBL4406608 0.73 ADRA2A (0.41) NOS3NOS1NOS2MAPTKMT2A
SCHEMBL11292213 0.72 ALDH1A1 (0.37) LMNAMAPTKMT2AALDH1A1KDM4E
SCHEMBL9095846 0.71
SCHEMBL1355341 0.71 MAOA (0.46) MAPTKMT2AALDH1A1KDM4ERAB9A
SCHEMBL29897004 0.71 MAOA (0.46) MAPTKMT2AALDH1A1KDM4ERAB9A
SCHEMBL1355343 0.71 MAOA (0.46) MAPTKMT2AALDH1A1KDM4ERAB9A
SCHEMBL28342274 0.70 MAOA (0.52) NOS3NOS1NOS2LMNAMAPT
SCHEMBL10765458 0.70 ADRA2A (0.45) NOS3NOS1NOS2MAPTKMT2A

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 8 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 disclosed
EP-2125800-A1 NOVEL HETEROARYL SUBSTITUTED IMIDAZO Ý1,2 -A¨PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008091195-A1 NOVEL HETEROARYL SUBSTITUTED IMIDAZO [1,2 -A] PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-07-31 WO disclosed
US-6229016-B1 PYRIDOPYRIMIDINE DERIVATIVES AS CHEMICAL INTERMEDIATES; POLYMERIZATION INHIBITION OF TUBULIN THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-05-08 US disclosed
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
EP-0971921-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS The University of North Carolina at Chapel Hill (US) 2000-01-19 EP disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed
WO-1998039332-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-11 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 NOS3 1736/4885NOS1 2269/4885NOS2 1810/4885

“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.