SCHEMBL6414447

SCHEMBL6414447

C[C@H](c1ccccc1)N(C)c1nccc(Nc2nc(-c3ccccc3)cc3ncnn23)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CAMK2D Q13557 4/20 0.35
KDM4E B2RXH2 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NUDT1 P36639 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
PKM P14618 1/20 0.33
PLK1 P53350 1/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32

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
SCHEMBL5314487 0.83 PLK1 (0.46) CAMK2DPLK1
SCHEMBL6414904 0.83 PLK1 (0.46) CAMK2DPLK1
SCHEMBL5318263 0.77 MAPT (0.41) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL5317535 0.76 BPTF (0.46) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL5311751 0.76 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL6414897 0.73 HTR7 (0.46) KDM4ESMN1; SMN2HRH4HPGD
SCHEMBL13220952 0.70 GSK3B (0.53) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL5311550 0.70 KDM4E (0.41) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL6415712 0.68 MEN1 (0.39) ALDH1A1TSHRMAPK1RPS6KB1PLK1
SCHEMBL6417552 0.64 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1KDM4ESMN1; 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-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT ALDH1A1 3162/4885TSHR 2476/4885MAPK1 1274/4885

“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.