Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073656

SCHEMBL10073656

SCHEMBL10073656

O=S(=O)(NCc1cc(Br)ccc1F)c1n[nH]c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ PARP1 P09874 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ AKR1B1 P15121 1/20 0.33
▸ BRAF P15056 2/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ P2RX7 Q99572 1/20 0.32

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 0.81 KDM4E (0.46) KDM4EKMT2ANAMPTAKR1B1SLC40A1
SCHEMBL10072919 0.73 ENPP1 (0.33) KDM4EMEN1KMT2ABRAFLMNA
SCHEMBL10072904 0.72 RAB9A (0.38) KDM4EKMT2APOLBSLC40A1LMNA
SCHEMBL10073458 0.72 TBXAS1 (0.39) MEN1KMT2ASLC40A1
SCHEMBL10073840 0.72 ROCK2 (0.48) PARP1KMT2ANAMPTAKR1B1LMNA
SCHEMBL10074043 0.72 ALDH1A1 (0.48) KDM4EPARP1NAMPTLMNA
SCHEMBL10072889 0.72 CA2 (0.40) KDM4EMEN1KMT2ANAMPTLMNA
SCHEMBL10073644 0.71 ALDH1A1 (0.44) MEN1KMT2ALMNACNR1
SCHEMBL10073645 0.71 P2RX7 (0.41) KDM4EPOLBSLC40A1P2RX7
SCHEMBL10072937 0.70 KDM4E (0.37) KDM4EKMT2ALMNA

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 8 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
EP-2514751-A1 Azaindazoles useful as inhibitor of kinases Vertex Pharmaceuticals, Inc. (US) 2012-10-24 — — EP 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 KDM4E 640/4885PARP1 905/4885MEN1 1491/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA KDM4E 640/4885PARP1 905/4885MEN1 1491/4885

“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.