SCHEMBL7849600

SCHEMBL7849600

Nc1ccc(NC(=O)Nc2cccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.71
NPC1 O15118 8/20 0.71
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
KDM4E B2RXH2 1/20 0.66
MAPT P10636 4/20 0.63
PKM P14618 2/20 0.61
LMNA P02545 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
TSHR P16473 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
ATM Q13315 1/20 0.58
EPHX2 P34913 1/20 0.58
HTT P42858 3/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL30051982 0.88 MEN1 (0.77) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL9637653 0.88 MEN1 (0.77) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL10665495 0.86 RAB9A (0.79) RAB9ANPC1MEN1KMT2AKDM4E
Bromide SCHEMBL29417998 0.86 MEN1 (0.74) RAB9ANPC1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL29388210 0.86 MEN1 (0.74) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3178215 0.84 DDX3X (0.72) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL5853939 0.83 RAB9A (1.00) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL19932355 0.83 RAB9A (0.71) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL22926672 0.83 FPR2 (0.74) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL9190814 0.83 KMT2A (1.00) RAB9ANPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 WO disclosed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 US disclosed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 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 (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-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD RAB9A 774/4885NPC1 1549/4885MEN1 2469/4885

“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.