SCHEMBL77812

SCHEMBL77812

O=C(Nc1cccnc1)N(c1ccccc1)c1ncc2c[nH]nc2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.44
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
PKM P14618 1/20 0.42
NAMPT P43490 3/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
GALR3 O60755 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL83895 0.91 MEN1 (0.42) RAB9ANPC1ALDH1A1HSD17B10MEN1
SCHEMBL79491 0.89 MEN1 (0.42) RAB9ANPC1GALR3ALDH1A1MAPK1
SCHEMBL77813 0.84 RAB9A (0.45) NOTUMRAB9ANPC1PKMNAMPT
SCHEMBL78827 0.83 KMT2A (0.38) RAB9ANPC1TP53HSD17B10MEN1
SCHEMBL5014878 0.82 HDAC6 (0.34) RAB9ANPC1TDP1MEN1KMT2A
SCHEMBL5017721 0.81 CA1 (0.36) RAB9ANPC1MEN1KMT2A
SCHEMBL82344 0.81 HDAC1 (0.35) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL83204 0.81 CXCR1 (0.38) NPC1PKMMEN1KMT2ALMNA
SCHEMBL83768 0.79 NPSR1 (0.36) RAB9ANPC1TDP1ALDH1A1MEN1
SCHEMBL5015654 0.79 MEN1 (0.34) RAB9ANPC1MEN1KMT2AL3MBTL1

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 NOTUM 3827/4885RAB9A 1390/4885NPC1 3124/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 NOTUM 4575/4885RAB9A 1142/4885NPC1 795/4885

“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.