SCHEMBL7587632

SCHEMBL7587632

COc1cc(C(=O)N2CCN(C(Cc3ccc(C#N)cc3)c3cnc[nH]3)CC2)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
WNK1 Q9H4A3 1/20 0.40
BCHE P06276 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
HTR4 Q13639 1/20 0.37
GAA P10253 1/20 0.37
P2RY12 Q9H244 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 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
Hydrochloric Acid SCHEMBL7570753 0.99 KMT2A (0.41) KMT2APOLBMAPK1MEN1WNK1
SCHEMBL7483971 0.83 FNTA (0.47) KMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7482278 0.83 FNTA (0.47) KMT2AMEN1ALDH1A1LMNA
SCHEMBL7484603 0.80 SCN7A (0.45) KMT2AMAPK1MEN1ALDH1A1KDM4E
SCHEMBL7483881 0.79 FNTA (0.38) AKT1AKT2AKT3
SCHEMBL7156162 0.78 CYP19A1 (0.42)
SCHEMBL7485633 0.78 CHRM2 (0.38) ALDH1A1RAB9AAKT1AKT2AKT3
Hydrochloric Acid SCHEMBL7748868 0.78 FNTA (0.38) AKT1AKT2AKT3
SCHEMBL7584664 0.78 FNTA (0.38) AKT1AKT2AKT3
SCHEMBL7482744 0.78 FNTA (0.41) AKT1AKT2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 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-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay GGT1, FNTA, GGPS1 KMT2A 3562/4885POLB 3209/4885MAPK1 4130/4885

“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.