SCHEMBL10080973

SCHEMBL10080973

COc1cncc(-c2ccc3nc(Nc4cccnc4)sc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
MEN1 O00255 10/20 0.49
KMT2A Q03164 10/20 0.49
MAPT P10636 8/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL10081131 0.90 RAB9A (0.54) PDE10AMEN1KMT2AMAPTALDH1A1
SCHEMBL10081018 0.86 MAPK1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10081015 0.84 PIK3CG (0.55) PDE10AMEN1KMT2AMAPTALDH1A1
SCHEMBL716362 0.82 PIK3CG (0.62) PDE10AMEN1KMT2AMAPTALDH1A1
SCHEMBL10086030 0.81 KIF11 (0.44) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL10081016 0.81 PIK3CG (0.48) PDE10AMEN1KMT2AMAPTALDH1A1
SCHEMBL10081014 0.81 PIK3CD (0.48) PDE10AMEN1KMT2AMAPTALDH1A1
SCHEMBL10081017 0.78 MEN1 (0.42) PDE10AMEN1KMT2AMAPTALDH1A1
SCHEMBL3782341 0.78 PIK3CG (0.56) RAB9ANPC1SMN1; SMN2HTTPIK3CG
SCHEMBL10081138 0.76 RAB9A (0.45) PDE10AMEN1KMT2AMAPTALDH1A1

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG PDE10A 487/4885MEN1 3841/4885KMT2A 2972/4885

“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.