SCHEMBL718550

SCHEMBL718550

Brc1ccc2nc(Nc3cccnc3)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.50
NPC1 O15118 9/20 0.50
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
DYRK1A Q13627 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL10081088 0.77 PIK3CG (0.60) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL7428151 0.77 CSF1R (0.50) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL716362 0.74 PIK3CG (0.62) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL10084975 0.74 PIK3CD (0.56) RAB9ANPC1MAPTSMN1; SMN2CYP3A4
SCHEMBL17801714 0.73 NPC1 (0.66) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL10080999 0.73 PIK3CG (0.64) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL14568609 0.72 BRAF (0.46) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL717159 0.72 RAB9A (0.51) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL7475860 0.72 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2NFKB1
SCHEMBL1303607 0.72 MEN1 (0.60) RAB9ANPC1MAPTSMN1; SMN2CYP1A2

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 RAB9A 1134/4885NPC1 1406/4885MAPT 3245/4885

“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.