SCHEMBL12852604

SCHEMBL12852604

CNc1cccc(-c2cscn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
SCN9A Q15858 1/20 0.45
PLK1 P53350 1/20 0.44
KAT6A Q92794 1/20 0.43
NTRK1 P04629 1/20 0.42
ABL1 P00519 2/20 0.41
RIN1 Q13671 2/20 0.41
HTT P42858 1/20 0.38
GRK5 P34947 1/20 0.36
BRD4 O60885 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
GPR142 Q7Z601 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
JAK2 O60674 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL18176020 0.83 EGFR (0.46) EGFRSCN9AKAT6AABL1RIN1
SCHEMBL13994025 0.83 EGFR (0.49) EGFRSCN9AKAT6AABL1RIN1
SCHEMBL12234338 0.78 KAT6A (0.51) EGFRKAT6AABL1RIN1HTT
SCHEMBL13996543 0.78 EGFR (0.48) EGFRSCN9AKAT6AABL1RIN1
SCHEMBL10151028 0.77 SCN9A (0.51) EGFRSCN9AKAT6AGRK5MEN1
SCHEMBL30989356 0.77 SCN9A (0.51) EGFRSCN9AKAT6AGRK5MEN1
SCHEMBL5322690 0.75 RAB9A (0.54) EGFRSCN9AKAT6ANPC1RAB9A
SCHEMBL1724613 0.75 KAT6A (0.60) PLK1KAT6AABL1NPC1RAB9A
SCHEMBL16540040 0.74 CA2 (0.48) EGFRSCN9AKAT6AHTTNPC1
SCHEMBL7389467 0.74 SCN9A (0.48) EGFRSCN9AKAT6AABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 US disclosed
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors ALKAHEST, INC. 2023-11-02 US disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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 (4 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-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors CCR3, CCR1, CCR4 EGFR 561/4885SCN9A 4169/4885PLK1 347/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 EGFR 1717/4885SCN9A 3745/4885PLK1 1925/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 EGFR 2656/4885SCN9A 2058/4885PLK1 2811/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 EGFR 2575/4885SCN9A 1783/4885PLK1 2685/4885

“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.