SCHEMBL717159

SCHEMBL717159

Brc1ccc2nc(Nc3nccs3)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
DYRK1A Q13627 1/20 0.51
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SLC2A1 P11166 1/20 0.42
TP53 P04637 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
SCHEMBL808047 0.74 LCK (0.53) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1621806 0.73 RAB9A (0.65) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2076551 0.73 RAB9A (0.65) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL10084976 0.73 MAPT (0.56) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL718550 0.72 RAB9A (0.50) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL112798 0.72 RAB9A (0.49) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL717708 0.71 PIK3CG (0.62) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL8739547 0.71 LCK (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL15673444 0.71 RAB9A (0.48) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL8739182 0.71 LCK (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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 1406/4885CYP1A2 1735/4885

“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.