SCHEMBL282987

SCHEMBL282987

N/C(=N/O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.53
BRAF P15056 2/20 0.49
MAPK3 P27361 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLG P00747 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 4/20 0.43
NAPRT Q6XQN6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL282989 1.00 KDM1A (0.53) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL641911 1.00 KDM1A (0.53) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL5473610 0.87 BRAF (0.59) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL14153247 0.87 BRAF (0.59) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL21658656 0.82 NPC1 (0.48) RAB9ANPC1LMNASMN1; SMN2PLG
SCHEMBL3064530 0.82 LMNA (0.58) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL7296547 0.82 CYP17A1 (0.57) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL14153032 0.82 FLT3 (0.45) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL14061857 0.82 FLT3 (0.45) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL3064531 0.82 LMNA (0.58) KDM1ABRAFMAPK3MAPK1RAB9A

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
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
EP-0641797-A1 Cephem derivatives and antimicrobial agents containing the same KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1995-03-08 EP 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 (2 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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KDM1A 2152/4885BRAF 2929/4885MAPK3 2431/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KDM1A 2152/4885BRAF 2929/4885MAPK3 2431/4885

“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.