SCHEMBL4512084

SCHEMBL4512084

CC[C@H](N)CN(C)c1nc(-c2cc(Cl)ccc2O)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.42
MAPT P10636 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2D6 P10635 4/20 0.41
LMNA P02545 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CDK9 P50750 4/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
CASP3 P42574 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
NFKB1 P19838 1/20 0.40
CDK5 Q00535 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CDK5R1 Q15078 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL4512081 1.00 CHEK2 (0.42) CHEK2MAPTCYP1A2CYP2D6LMNA
SCHEMBL4512089 1.00 CHEK2 (0.42) CHEK2MAPTCYP1A2CYP2D6LMNA
SCHEMBL8229982 0.84 MAPT (0.40) CHEK2MAPTCYP1A2CYP2D6LMNA
SCHEMBL1084334 0.81 CYP2D6 (0.57) CHEK2MAPTCYP1A2CYP2D6LMNA
SCHEMBL4501925 0.80 CDK9 (0.41) MAPTLMNACDK9KDM4ENPC1
SCHEMBL4501919 0.80 CDK9 (0.41) MAPTLMNACDK9KDM4ENPC1
SCHEMBL4501930 0.80 CDK9 (0.41) MAPTLMNACDK9KDM4ENPC1
SCHEMBL4524743 0.79 CHEK2 (0.52) CHEK2MAPTCYP1A2CYP2D6LMNA
SCHEMBL4524757 0.79 CHEK2 (0.52) CHEK2MAPTCYP1A2CYP2D6LMNA
SCHEMBL4524752 0.79 CHEK2 (0.52) CHEK2MAPTCYP1A2CYP2D6LMNA

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT CHEK2 606/4885MAPT 4490/4885CYP1A2 3783/4885

“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.