Sugi Predict

Sugi Predict / Compounds / SCHEMBL3338709

SCHEMBL3338709

SCHEMBL3338709

Cc1cc2nc(CSc3ccccc3Br)cc(O)n2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP2 Q13309 1/20 0.34

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
SCHEMBL3338499 0.86 CXCR2 (0.39) RAB9ATP53SMN1; SMN2NPC1CYP1A2
SCHEMBL3341624 0.81 CXCR2 (0.50) RAB9ATP53MAOBRXFP1CXCR2
SCHEMBL3344200 0.75 MAPT (0.43) RAB9ASMN1; SMN2NPC1MAOBMAOA
SCHEMBL3339153 0.75 MAOB (0.39) RAB9ASMN1; SMN2NPC1HSD17B10MAOB
SCHEMBL3339372 0.75 PTGDR2 (0.40) RAB9ASMN1; SMN2NPC1MAOBPOLB
SCHEMBL3338701 0.74 CXCR2 (0.40) RAB9ASMN1; SMN2NPC1HSD17B10MAOB
SCHEMBL954380 0.71 RXFP1 (0.47) SMN1; SMN2HSD17B10ALDH1A1RXFP1CXCR2
SCHEMBL956425 0.70 KDM4E (0.39) TP53SMN1; SMN2NPC1CYP1A2MAOB
SCHEMBL3339724 0.70 CXCR2 (0.47) RAB9ATP53POLBCXCR2
SCHEMBL3344100 0.69 CXCR2 (0.45) RAB9ATP53SMN1; SMN2NPC1CXCR2

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 9 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
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 — — US disclosed
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
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 KDM1A 4398/4885RAB9A 1737/4885TP53 1571/4885

“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.