Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072904

SCHEMBL10072904

SCHEMBL10072904

O=S(=O)(NCc1cc(F)cc2c1OCOC2)c1n[nH]c2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ CXCR5 P32302 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ EPHA2 P29317 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL10047436 0.73 KDM4E (0.46) KDM4EKMT2ALMNASLC40A1
SCHEMBL10073656 0.72 KDM4E (0.41) POLBKDM4EKMT2ALMNASLC40A1
SCHEMBL10072919 0.71 ENPP1 (0.33) ALDH1A1KDM4ERXFP1KMT2ALMNA
SCHEMBL10073458 0.71 TBXAS1 (0.39) TDP1SMN1; SMN2KMT2ANTRK1SLC40A1
SCHEMBL10074043 0.68 ALDH1A1 (0.48) ALDH1A1KDM4ELMNA
SCHEMBL10072889 0.68 CA2 (0.40) ALDH1A1KDM4ESMN1; SMN2HTTKMT2A
SCHEMBL10072937 0.67 KDM4E (0.37) ALDH1A1TSHRKDM4ESMN1; SMN2KMT2A
SCHEMBL10073648 0.66 ALDH1A1 (0.42) POLBALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL10073840 0.66 ROCK2 (0.48) RAB9AKMT2ALMNA
SCHEMBL10073644 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2ALMNAGAA

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-8445681-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-21 — — US disclosed
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-28 — — US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
WO-2007059219-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 — — 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 (2 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-20070179177-A1 Azaindazoles useful as inhibitors of kinases PRKDC, MAP3K20, PRKACA RAB9A 2522/4885NPC1 2687/4885POLB 1883/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA RAB9A 2522/4885NPC1 2687/4885POLB 1883/4885

“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.