Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072919

SCHEMBL10072919

SCHEMBL10072919

Cc1cc(CNS(=O)(=O)c2n[nH]c3ncccc23)c(C(F)(F)F)o1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GPBAR1 Q8TDU6 2/20 0.32
▸ BRAF P15056 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP7 P09237 1/20 0.30
▸ MMP12 P39900 1/20 0.30
▸ ADAM17 P78536 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
SCHEMBL10073840 0.75 ROCK2 (0.48) KMT2ALMNA
SCHEMBL10047436 0.73 KDM4E (0.46) KDM4EGPBAR1KMT2ALMNA
SCHEMBL10073656 0.73 KDM4E (0.41) KDM4EBRAFKMT2ALMNACNR1
SCHEMBL10073838 0.73 ALDH1A1 (0.49) ALDH1A1LMNA
SCHEMBL10072904 0.71 RAB9A (0.38) KDM4EKMT2ARXFP1ALDH1A1LMNA
SCHEMBL10073647 0.71 ALDH1A1 (0.47) KDM4EALDH1A1LMNACNR1MAPT
SCHEMBL12243435 0.71 NAMPT (0.49) BRAFMMP2ADAM17
SCHEMBL10073644 0.70 ALDH1A1 (0.44) KMT2AALDH1A1LMNACNR1MEN1
SCHEMBL10072893 0.70 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1LMNAMEN1
SCHEMBL10073645 0.70 P2RX7 (0.41) KDM4EALDH1A1

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 ENPP1 558/4885KDM4E 640/4885GPBAR1 3981/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ENPP1 558/4885KDM4E 640/4885GPBAR1 3981/4885

“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.