SCHEMBL6789563

SCHEMBL6789563

NCCn1ccc2cc(N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
PLAU P00749 2/20 0.45
PLG P00747 1/20 0.45
BRPF1 P55201 1/20 0.43
EGFR P00533 2/20 0.43
NTSR1 P30989 1/20 0.43
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
HTR6 P50406 1/20 0.41
LMNA P02545 1/20 0.40
HTR2A P28223 6/20 0.39
HTR2C P28335 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL16370787 0.87 PRKCI (0.55) PRKCIPLAUPLGBRPF1EGFR
SCHEMBL30672832 0.87 PRKCI (0.55) PRKCIPLAUPLGBRPF1EGFR
SCHEMBL23413236 0.85 KMO (0.44) PRKCIBRPF1CDK4CCND1HTR6
SCHEMBL29780573 0.85 KMO (0.44) PRKCIBRPF1CDK4CCND1HTR6
SCHEMBL3650822 0.84 PRKCI (0.59) PRKCIPLAUPLGBRPF1EGFR
SCHEMBL13836419 0.84 PRKCI (0.55) PRKCIPLAUPLGBRPF1EGFR
SCHEMBL5089820 0.81 PRKCI (0.56) PRKCIPLAUPLGBRPF1EGFR
SCHEMBL8959527 0.80 HTR2A (0.59) PLAUPLGCDK4CCND1LMNA
SCHEMBL21941497 0.80 HTR2A (0.59) PLAUPLGNTSR1CDK4CCND1
SCHEMBL8959780 0.80 HTR2C (0.59) PLAUPLGCDK4CCND1HTR6

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-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 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-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC PRKCI 1977/4885PLAU 3592/4885PLG 1298/4885

“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.