Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072891

SCHEMBL10072891

SCHEMBL10072891

O=S(=O)(c1n[nH]c2ncccc12)N1CCC(CCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.42
▸ HTR1A P08908 8/20 0.42
▸ HTR2A P28223 8/20 0.42
▸ HTR7 P34969 8/20 0.42
▸ HTR6 P50406 8/20 0.42
▸ ALOX5AP P20292 2/20 0.38
▸ FEN1 P39748 2/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL10072932 0.82 NAMPT (0.47) TSHRMAPT
SCHEMBL10072897 0.81 COMT (0.49) TSHRMAPT
SCHEMBL10072940 0.81 COMT (0.39) ALOX5APFEN1
SCHEMBL10072929 0.81 KDM4E (0.48) —
SCHEMBL10072903 0.81 ROCK2 (0.41) ALOX5APFEN1TSHRMAPT
SCHEMBL10072905 0.80 KDM4E (0.50) TSHRMAPT
SCHEMBL10072926 0.79 ACLY (0.44) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL12243395 0.77 GRM4 (0.39) FEN1TSHR
SCHEMBL10072931 0.76 JAK2 (0.42) HTR6
SCHEMBL10073452 0.76 VNN1 (0.38) ALOX5APFEN1

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 DRD2 4527/4885HTR1A 4273/4885HTR2A 4244/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA DRD2 4527/4885HTR1A 4273/4885HTR2A 4244/4885

“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.