SCHEMBL6362020

SCHEMBL6362020

Nc1nc(N)c(Br)c(NCc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.62
CDK1 P06493 2/20 0.54
DHFR P00374 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
EGFR P00533 1/20 0.50
CHUK O15111 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10485673 0.85 APP (0.64) APPCDK1DHFRNPSR1CHUK
SCHEMBL7152948 0.78 PDE5A (0.54) APP
SCHEMBL13009791 0.77 APP (1.00) APPNPSR1
SCHEMBL3422229 0.75 APP (0.60) APPCDK1NPSR1EGFRCHUK
SCHEMBL18627615 0.75 LDHA (0.54) APPCDK1DHFREGFRSMN1; SMN2
SCHEMBL3301514 0.74 NPSR1 (0.74) APPDHFRNPSR1SMN1; SMN2
SCHEMBL6727019 0.74 NPSR1 (0.74) APPDHFRNPSR1SMN1; SMN2
SCHEMBL6128301 0.73 APP (0.57) APPCDK1NPSR1EGFR
Hydrochloric Acid SCHEMBL9247173 0.73 NPSR1 (0.72) APPDHFRNPSR1SMN1; SMN2
SCHEMBL7022867 0.72 SMN1; SMN2 (0.68) APPDHFRNPSR1SMN1; SMN2

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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 APP 2440/4885CDK1 1470/4885DHFR 465/4885

“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.