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Sugi Predict / Compounds / SCHEMBL14768623

SCHEMBL14768623

SCHEMBL14768623

Cc1cc(Cl)cc(Sc2ccc(C#N)cc2CN2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A13 Q16696 4/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ CDK7 P50613 2/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CAMK2G Q13555 1/20 0.38
▸ MARK2 Q7KZI7 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ SGK2 Q9HBY8 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ CAMK2A Q9UQM7 1/20 0.38
▸ DYRK1B Q9Y463 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
SCHEMBL14768592 0.92 CYP2A13 (0.40) CYP2A13DRD2DRD4DRD3CDK7
SCHEMBL14768607 0.89 CHRNA7 (0.39) DRD2DRD4DRD3MAPTMAPK1
SCHEMBL14768585 0.89 KDM1A (0.38) DRD2DRD4DRD3ADORA2AADORA1
SCHEMBL14768596 0.88 L3MBTL1 (0.38) CYP2A13DRD2DRD4DRD3LMNA
SCHEMBL14768591 0.87 ACHE (0.38) DRD2DRD4DRD3KDM4EHRH3
SCHEMBL14768622 0.86 KMT2A (0.40) DRD2DRD4DRD3ADORA1MEN1
SCHEMBL14768626 0.85 ELANE (0.42) CYP2A13CDK7DYRK3CDK1CDK2
SCHEMBL14768595 0.82 MEN1 (0.35) DRD2DRD4DRD3TDP1KDM4E
SCHEMBL14039266 0.82 MLNR (0.39) DRD2DRD4DRD3
SCHEMBL14039315 0.82 DRD4 (0.34) DRD2DRD4DRD3TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031841-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. 2016-02-04 — — US disclosed
US-9187425-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2015-11-17 — — US disclosed
US-20140066446-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-06 — — US disclosed
US-8563544-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-10-22 — — US disclosed
US-20130065889-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-14 — — 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 (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-20160031841-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 CYP2A13 732/4885DRD2 1856/4885DRD4 2939/4885
US-20140066446-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 CYP2A13 732/4885DRD2 1856/4885DRD4 2939/4885
US-20130065889-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 CYP2A13 732/4885DRD2 1856/4885DRD4 2939/4885

“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.