SCHEMBL77813

SCHEMBL77813

O=C(Nc1cccnc1)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
PKM P14618 1/20 0.45
FLT3 P36888 1/20 0.44
NAMPT P43490 4/20 0.43
NOTUM Q6P988 1/20 0.41
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
DYRK1A Q13627 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
IDO1 P14902 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL80255 0.91 ROCK2 (0.43) RAB9ANPC1FLT3GAAKDM4E
SCHEMBL79492 0.89 MEN1 (0.41) RAB9ANPC1FLT3NAMPTALDH1A1
SCHEMBL77812 0.84 NOTUM (0.44) RAB9ANPC1PKMNAMPTNOTUM
SCHEMBL78828 0.82 KMT2A (0.38) RAB9ANPC1FLT3GAAKDM4E
SCHEMBL5014883 0.81 CSF1R (0.36) RAB9ANPC1FLT3KDM4E
SCHEMBL5017723 0.80 CA1 (0.38) RAB9ANPC1FLT3TSHRLMNA
SCHEMBL82345 0.80 CSF1R (0.39) RAB9ANPC1FLT3KDM4E
SCHEMBL79935 0.79 CSF1R (0.39) RAB9ANPC1FLT3NAMPTALDH1A1
SCHEMBL83205 0.79 CXCR1 (0.37) NPC1PKMFLT3LMNAGAA
SCHEMBL81783 0.77 CSF1R (0.40) RAB9ANPC1FLT3NAMPTALDH1A1

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
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD RAB9A 1390/4885NPC1 3124/4885PKM 482/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 RAB9A 1142/4885NPC1 795/4885PKM 355/4885

“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.