Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073643

SCHEMBL10073643

SCHEMBL10073643

O=S(=O)(NCCSCc1c(F)cccc1Cl)c1n[nH]c2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ RECQL P46063 1/20 0.45
▸ HPGD P15428 3/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39

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
SCHEMBL10072890 0.81 KMT2A (0.39) LMNAALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL10073461 0.79 L3MBTL1 (0.43) LMNARECQLHPGDALDH1A1MAPT
SCHEMBL10073466 0.74 ALDH1A1 (0.50) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL10073655 0.73 ALDH1A1 (0.50) LMNAHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10047436 0.72 KDM4E (0.46) LMNAL3MBTL1KMT2AKDM4EAKR1B1
SCHEMBL10072887 0.70 KMT2A (0.42) MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL14433965 0.70 RECQL (0.60) LMNARECQLHPGDALDH1A1MAPT
SCHEMBL10073458 0.70 TBXAS1 (0.39) SMN1; SMN2L3MBTL1KMT2A
SCHEMBL16299024 0.68 LMNA (0.60) LMNARECQLHPGDALDH1A1MAPT
SCHEMBL22044905 0.67 PKM (0.41) LMNAALDH1A1MAPTPKML3MBTL1

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 LMNA 3403/4885RECQL 1940/4885HPGD 1752/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA LMNA 3403/4885RECQL 1940/4885HPGD 1752/4885

“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.