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Sugi Predict / Compounds / SCHEMBL10072890

SCHEMBL10072890

SCHEMBL10072890

O=S(=O)(NCCc1c(Cl)cccc1Cl)c1n[nH]c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ TP53 P04637 7/20 0.38
▸ MAPT P10636 5/20 0.38
▸ CYP3A4 P08684 7/20 0.37
▸ CYP1A2 P05177 6/20 0.37
▸ CYP2C19 P33261 6/20 0.37
▸ CYP2C9 P11712 5/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ FPR2 P25090 2/20 0.37
▸ MTOR P42345 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ MYLK Q15746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ THPO P40225 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ PMP22 Q01453 2/20 0.36

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
SCHEMBL10072887 0.83 KMT2A (0.42) KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL10073643 0.81 LMNA (0.56) KMT2AMAPTCYP3A4CYP1A2CYP2C19
SCHEMBL10073458 0.78 TBXAS1 (0.39) KMT2ATDP1MEN1SMN1; SMN2SLC40A1
SCHEMBL10072916 0.77 — —
SCHEMBL10073460 0.76 TBXA2R (0.44) KMT2ATDP1TSHRSMN1; SMN2LMNA
SCHEMBL10072908 0.75 L3MBTL1 (0.51) KMT2ATP53KDM4EHSD17B10TDP1
SCHEMBL10073161 0.75 LMNA (0.40) TP53CYP2C19CYP2C9KDM4EHSD17B10
SCHEMBL10073645 0.74 P2RX7 (0.41) KDM4ESMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL10073655 0.74 ALDH1A1 (0.50) KMT2AMAPTKDM4EHSD17B10MEN1
SCHEMBL10073648 0.73 ALDH1A1 (0.42) TP53CYP3A4CYP2C19CYP2D6KDM4E

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 KMT2A 649/4885TP53 786/4885MAPT 2437/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA KMT2A 649/4885TP53 786/4885MAPT 2437/4885

“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.