SCHEMBL6736042

SCHEMBL6736042

Cc1ccc(CN2CCCCC2)cc1NC(=O)CCN1CCN(Cc2cc(Cl)cc(Cl)c2)C1=C(C#N)C#N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CACNA1G O43497 3/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6737935 0.92 RAPGEF3 (0.44) RAPGEF3POLBSMN1; SMN2CHRM1HTR2A
SCHEMBL6734536 0.85 SMN1; SMN2 (0.48) RAPGEF3ALDH1A1TSHRPOLBMAPT
SCHEMBL6734631 0.80 RAPGEF3 (0.38) RAPGEF3SMN1; SMN2MCHR1HRH3
SCHEMBL6734463 0.78 ACKR3 (0.44) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6733733 0.76 RAPGEF3 (0.39) RAPGEF3POLBSMN1; SMN2MCHR1HRH3
SCHEMBL6729982 0.75 HRH3 (0.40) RAPGEF3MCHR1HRH3
SCHEMBL7659514 0.75 RAPGEF3 (0.46) RAPGEF3MCHR1HRH3
SCHEMBL7660195 0.74 HRH3 (0.47) RAPGEF3ALDH1A1MEN1KMT2AHRH3
SCHEMBL6733915 0.73 HRH3 (0.40) RAPGEF3POLBMAPTMEN1KMT2A
SCHEMBL6805174 0.71 HRH3 (0.40) RAPGEF3MCHR1HRH3CACNA1G

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 3 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

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 RAPGEF3 2984/4885ALDH1A1 569/4885TSHR 2768/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 RAPGEF3 2984/4885ALDH1A1 569/4885TSHR 2768/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 RAPGEF3 2984/4885ALDH1A1 569/4885TSHR 2768/4885

“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.