SCHEMBL3338639

SCHEMBL3338639

Oc1cc(C(S)c2cccc(F)c2F)nc2ccnn12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.33
▸ CCNT1 O60563 4/20 0.32
▸ CDK9 P50750 4/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ KCNN3 Q9UGI6 2/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ PLK3 Q9H4B4 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL2638146 0.82 KDM4E (0.31) CES2CES1
SCHEMBL3367451 0.81 ALDH1A1 (0.42) —
SCHEMBL3367417 0.78 L3MBTL1 (0.34) PDE10A
SCHEMBL3339097 0.76 KDM4E (0.30) —
SCHEMBL3337240 0.75 KDM4E (0.37) —
SCHEMBL3367399 0.75 TRPV1 (0.30) —
SCHEMBL3340932 0.75 PDE4D (0.32) —
SCHEMBL3344737 0.75 FYN (0.30) —
SCHEMBL3338764 0.75 MEN1 (0.31) —
SCHEMBL3368029 0.75 TP53 (0.34) —

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-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 — — US claimed
EP-2094697-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A]PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 — — EP claimed
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 — — WO claimed
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 — — US disclosed
EP-2094697-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A]PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 — — EP disclosed
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 — — 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-20100152205-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 PDE10A 1339/4885CCNT1 2203/4885CDK9 897/4885

“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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