SCHEMBL10072889

SCHEMBL10072889

O=S(=O)(NCc1ccccc1Sc1ccccc1CO)c1n[nH]c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GUSB P08236 3/20 0.37
CA12 O43570 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
IFNAR1 P17181 1/20 0.33
NLRP3 Q96P20 1/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
HTR1A P08908 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 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 0.76 KDM4E (0.46) KDM4EGUSBLMNAL3MBTL1KMT2A
SCHEMBL10073656 0.72 KDM4E (0.41) KDM4ELMNAMEN1KMT2ANAMPT
SCHEMBL10072937 0.70 KDM4E (0.37) KDM4ESMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL10073647 0.70 ALDH1A1 (0.47) CA2KDM4ELMNAALDH1A1HPGD
SCHEMBL10073648 0.70 ALDH1A1 (0.42) KDM4ESMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL10073161 0.69 LMNA (0.40) KDM4ESMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL10073644 0.69 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1MEN1PKM
SCHEMBL10072919 0.69 ENPP1 (0.33) KDM4ELMNAALDH1A1MEN1MAPT
SCHEMBL10072910 0.69 ALOX5AP (0.36) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL10072893 0.68 ALDH1A1 (0.41) KDM4ESMN1; SMN2LMNAALDH1A1HPGD

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 CA2 2450/4885CA4 3395/4885KDM4E 640/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA CA2 2450/4885CA4 3395/4885KDM4E 640/4885

“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.