SCHEMBL6735403

SCHEMBL6735403

COC(=O)c1cc(CNc2cccc(CN3CCCCC3)c2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.50
HTR4 Q13639 1/20 0.46
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
PLA2G2A P14555 3/20 0.43
WNK1 Q9H4A3 1/20 0.43
MOK Q9UQ07 1/20 0.42

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
SCHEMBL6733775 0.76 HIF1A (0.57) KDM4EMEN1KMT2AALDH1A1
SCHEMBL6733742 0.73 ALDH1A1 (0.56) CDK5CDK5R1KDM4EMEN1KMT2A
SCHEMBL6737254 0.73 CYP2D6 (0.44) KDM4EMEN1KMT2AALDH1A1
SCHEMBL6734315 0.73 HRH3 (0.54) CDK5CDK5R1KDM4EALDH1A1
SCHEMBL6736754 0.71 ACKR3 (0.41) CDK5CDK5R1KDM4EMEN1KMT2A
SCHEMBL6736756 0.70 CDK5 (0.48) CDK5CDK5R1KDM4EMEN1KMT2A
SCHEMBL206621 0.69 MEN1 (0.48) KDM4EMEN1KMT2AWNK1
SCHEMBL29280456 0.69 KDM4E (0.72) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL12563565 0.69 CYP2D6 (0.69) KDM4EMEN1KMT2AALDH1A1
SCHEMBL6215918 0.68 HIF1A (0.52) ACP1KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 WO 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 (3 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ACP1 1611/4885HTR4 3499/4885CDK5 2189/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ACP1 1611/4885HTR4 3499/4885CDK5 2189/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ACP1 1611/4885HTR4 3499/4885CDK5 2189/4885

“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.