SCHEMBL79492

SCHEMBL79492

O=C(Nc1ccncc1)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HTT P42858 3/20 0.37
FLT3 P36888 1/20 0.37
BRAF P15056 1/20 0.37
LMNA P02545 4/20 0.37
FAAH O00519 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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 0.93 ROCK2 (0.43) MEN1KMT2ACA1CA2JAK2
SCHEMBL77813 0.89 RAB9A (0.45) FLT3LMNAKDM4ENPC1RAB9A
SCHEMBL79491 0.83 MEN1 (0.42) MEN1KMT2ATAAR1CA1CA2
SCHEMBL5014883 0.83 CSF1R (0.36) CA1CA2JAK2ROCK2ROCK1
SCHEMBL5017723 0.82 CA1 (0.38) MEN1KMT2ACA1CA2JAK2
SCHEMBL82345 0.82 CSF1R (0.39) CA1CA2JAK2ROCK2ROCK1
SCHEMBL78828 0.81 KMT2A (0.38) MEN1KMT2ACA1CA2JAK2
SCHEMBL79935 0.81 CSF1R (0.39) KMT2ACA1CA2JAK2ROCK2
SCHEMBL81359 0.80 FLT3 (0.45) FLT3HDAC1ALDH1A1
SCHEMBL77343 0.80 NPC1 (0.47) MEN1KMT2AFLT3SMN1; SMN2NPC1

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 MEN1 2562/4885KMT2A 3336/4885TAAR1 4723/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 MEN1 3129/4885KMT2A 3504/4885TAAR1 4802/4885

“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.