SCHEMBL3439211

SCHEMBL3439211

Cc1cc(NCC(C)(C)O)nc(S(C)(=O)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PTGS2 P35354 6/20 0.34
▸ IL1B P01584 2/20 0.34
▸ TNF P01375 1/20 0.34
▸ IDH2 P48735 2/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ PIK3CD O00329 4/20 0.32
▸ PIK3CB P42338 4/20 0.32
▸ PIK3CG P48736 4/20 0.32
▸ PHGDH O43175 1/20 0.31
▸ IKBKB O14920 1/20 0.31

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
SCHEMBL12131080 0.88 NUDT1 (0.36) PTGS2KDM4E
SCHEMBL3132045 0.82 FPR2 (0.35) FPR2SCN9APTGS2IL1BTNF
SCHEMBL3132037 0.81 FPR2 (0.47) FPR2SCN9APTGS2IDH2CDC7
SCHEMBL17461522 0.78 PTGER2 (0.39) FPR2SCN9AIDH2CDC7ROCK2
SCHEMBL17700570 0.67 KMT2A (0.54) KDM4E
SCHEMBL11738180 0.64 GLP1R (0.38) KDM4E
SCHEMBL12933368 0.64 NOS3 (0.53) KDM4E
SCHEMBL25087614 0.64 CDC7 (0.46) FPR2SCN9APTGS2IL1BTNF
SCHEMBL3049570 0.63 NOS2 (0.50) —
SCHEMBL24156712 0.63 SMN1; SMN2 (0.35) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 — — US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 — — US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 — — US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 — — US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 — — US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — 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 (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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 FPR2 298/4885SCN9A 3364/4885PTGS2 2200/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 FPR2 298/4885SCN9A 3364/4885PTGS2 2200/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 FPR2 138/4885SCN9A 4548/4885PTGS2 367/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 FPR2 307/4885SCN9A 3498/4885PTGS2 2147/4885

“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.

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