SCHEMBL5820697

SCHEMBL5820697

NC1NCCc2ccncc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
RECQL P46063 1/20 0.46
CHRNA7 P36544 1/20 0.45
SIGMAR1 Q99720 1/20 0.38
FDPS P14324 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
PRCP P42785 2/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL1011219 0.79 CHRNB2 (0.47) CHRNB2CHRNA4RECQLCHRNA7DRD2
SCHEMBL24316297 0.76 PRCP (0.60) CHRNB2CHRNA4RECQLCHRNA7SIGMAR1
SCHEMBL27919615 0.75 CHRNB2 (0.43) CHRNB2CHRNA4RECQLCHRNA7SIGMAR1
SCHEMBL24317436 0.75 CHRNB2 (0.43) CHRNB2CHRNA4RECQLCHRNA7SIGMAR1
SCHEMBL1641731 0.73 PRCP (0.58) RECQLPRCPGAA
SCHEMBL31059287 0.73 PRCP (0.58) RECQLPRCPGAA
SCHEMBL18795036 0.72 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7SIGMAR1FDPS
Bromide SCHEMBL6103530 0.72 PRCP (0.56) RECQLDRD1PRCPGAA
Methane SCHEMBL11849343 0.72 PRCP (0.56) RECQLPRCPGAA
SCHEMBL3964346 0.69 KDM1A (0.58) RECQLPRCPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258689-A1 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans EVOTEC SE (DE) 2006-11-16 US 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-20060258689-A1 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans BDNF, OPRL1, GRIN2D CHRNB2 84/4885CHRNA4 74/4885RECQL 434/4885

“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.