SCHEMBL7067259

SCHEMBL7067259

CCCN(CCC)C(=O)c1cnc2ccnn2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
KIT P10721 4/20 0.41
DDR1 Q08345 3/20 0.41
MLYCD O95822 2/20 0.40
HPGD P15428 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
BRAF P15056 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HCAR3 P49019 2/20 0.37
P2RX1 P51575 2/20 0.36
P2RX4 Q99571 2/20 0.36
P2RX3 P56373 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL557159 0.75 ALKBH2 (0.47) KITDDR1GABRA1GABRB2HCAR3
SCHEMBL25419641 0.73 LMNA (0.54) KITDDR1SMN1; SMN2NTRK1
SCHEMBL5429491 0.69 MLYCD (0.51) TP53MLYCDHPGDEGFRERBB2
SCHEMBL28527737 0.69 HTT (0.57) TP53MLYCDHCAR3TSHRNPSR1
SCHEMBL9694832 0.68 MLYCD (0.72) TP53MLYCDHPGDEGFRERBB2
SCHEMBL9540613 0.68 MLYCD (0.57) TP53MLYCDHPGDHTR1ADRD2
SCHEMBL22609136 0.68 BRAF (0.48) KITDDR1BRAF
SCHEMBL22609135 0.68 KIT (0.36) KITDDR1BRAFGABRA1GABRB2
SCHEMBL1003735 0.67 TP53 (0.68) TP53MLYCDHPGDHTR1ADRD2
SCHEMBL20355784 0.67 EGFR (0.43) MLYCDHPGDHTR1ADRD2HTR2A

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-20030022890-A1 Heterocyclic dihydropyrimidine compounds PEDESTRIAN CONCEPTS LLC 2003-01-30 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-20030022890-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNH2, KCNH1 TP53 3832/4885KIT 2907/4885DDR1 1852/4885

“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.