SCHEMBL10080948

SCHEMBL10080948

CCCCNS(=O)(=O)c1cccc(C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
FBP1 P09467 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
PNMT P11086 1/20 0.44

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
SCHEMBL16775756 0.91 KMT2A (0.53) ALDH1A1KMT2ATSHRF10PRSS1
SCHEMBL15614426 0.84 KMT2A (0.47) ALDH1A1KMT2AF10PRSS1PRSS2
SCHEMBL15119351 0.84 CYP2C19 (0.58) ALDH1A1KMT2AF10PRSS1PRSS2
SCHEMBL9228822 0.81 LMNA (0.56) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL20202315 0.81 ALDH1A1 (0.66) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL14349167 0.81 TSHR (0.52) ALDH1A1KMT2ATSHRF10PRSS1
SCHEMBL16775760 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AF10PRSS1PRSS2
SCHEMBL8548241 0.80 KMT2A (0.78) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL20647114 0.80 KMT2A (0.48) ALDH1A1KMT2ATSHRF10PRSS1
SCHEMBL18085906 0.80 ALDH1A1 (0.68) ALDH1A1F10PRSS1PRSS2PRSS3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US 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-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885KMT2A 1296/4885TSHR 1278/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG ALDH1A1 3409/4885KMT2A 2972/4885TSHR 2483/4885

“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.