SCHEMBL4604374

SCHEMBL4604374

Cc1nc(NC(=O)NCCCCN(C)Cc2ccc(F)cc2)sc1C(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.50
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 4/20 0.45
ACKR3 P25106 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LCK P06239 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
SCHEMBL4604183 0.91 GSK3A (0.52) CCR3RAB9AALDH1A1NPC1ACKR3
SCHEMBL14538232 0.90 CCR3 (0.49) CCR3RAB9AALDH1A1NPC1ACKR3
SCHEMBL4604262 0.88 LCK (0.48) RAB9AALDH1A1NPC1SMN1; SMN2HPGD
SCHEMBL4606143 0.79 GSK3A (0.51) CCR3RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL14538507 0.78 LCK (0.47) CCR3RAB9AALDH1A1NPC1ACKR3
SCHEMBL4605023 0.76 CCR3 (0.57) CCR3ACKR3KMT2ATMEM97SIGMAR1
SCHEMBL4891368 0.75 CCR3 (0.53) CCR3RAB9AALDH1A1ACKR3MEN1
SCHEMBL4900572 0.72 CCR3 (0.62) CCR3RAB9AACKR3SMN1; SMN2MEN1
SCHEMBL27719387 0.71 TMEM97 (0.60) CCR3RAB9AACKR3MEN1KMT2A
SCHEMBL4607403 0.71 CCR3 (0.55) CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 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 (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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 CCR3 1/4885RAB9A 2140/4885ALDH1A1 906/4885

“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.