SCHEMBL20064055

SCHEMBL20064055

Cc1ccc(C(=O)NCCN2CCCCC2)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
NPSR1 Q6W5P4 1/20 0.61
POLB P06746 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CACNA1G O43497 4/20 0.53
HTR3A P46098 1/20 0.53
KIT P10721 1/20 0.53
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL20073201 0.88 POLB (0.76) KMT2APOLBCYP1A2CYP2D6CYP2C9
SCHEMBL12305550 0.85 KMT2A (0.62) KMT2AMEN1NPSR1POLBCYP1A2
SCHEMBL30690828 0.82 NPSR1 (0.64) KMT2AMEN1NPSR1POLBCYP1A2
SCHEMBL27277527 0.82 NPSR1 (0.64) KMT2AMEN1NPSR1POLBCYP1A2
SCHEMBL12376590 0.82 MEN1 (0.75) KMT2AMEN1NPSR1POLBCYP1A2
SCHEMBL19175628 0.81 NPSR1 (0.65) KMT2AMEN1NPSR1POLBCYP1A2
SCHEMBL7978285 0.81 NPSR1 (0.65) KMT2AMEN1NPSR1POLBCYP1A2
SCHEMBL10202448 0.80 MEN1 (0.77) KMT2AMEN1NPSR1POLBCYP1A2
SCHEMBL14924433 0.79 SMN1; SMN2 (0.70) KMT2ANPSR1POLBCYP1A2CYP2D6
SCHEMBL20073521 0.79 HPGD (0.53) KMT2APOLBHPGDALDH1A1KDM4E

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-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS BRANDEIS UNIVERSITY 2018-04-19 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-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 KMT2A 1776/4885MEN1 2205/4885NPSR1 4252/4885

“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.