SCHEMBL79491

SCHEMBL79491

O=C(Nc1ccncc1)N(c1ccccc1)c1ncc2c[nH]nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 4/20 0.40
TAAR1 Q96RJ0 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
STAT3 P40763 2/20 0.37
GALR3 O60755 1/20 0.37
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 3/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IMPDH2 P12268 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HDAC1 Q13547 1/20 0.34

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 0.93 MEN1 (0.42) MEN1KMT2ACA1CA2TSHR
SCHEMBL77812 0.89 NOTUM (0.44) MEN1KMT2ALMNAGALR3TSHR
SCHEMBL5014878 0.84 HDAC6 (0.34) MEN1KMT2ALMNACA1CA2
SCHEMBL79492 0.83 MEN1 (0.41) MEN1KMT2ALMNATAAR1CA1
SCHEMBL5017721 0.83 CA1 (0.36) MEN1KMT2ACA1CA2SMN1; SMN2
SCHEMBL82344 0.83 HDAC1 (0.35) MEN1KMT2ALMNACA1CA2
SCHEMBL78827 0.83 KMT2A (0.38) MEN1KMT2ACA1CA2HSD17B10
SCHEMBL81358 0.81 FLT3 (0.40) TSHRALDH1A1HSD17B10HDAC1NPC1
SCHEMBL83768 0.81 NPSR1 (0.36) MEN1KMT2ALMNACA1CA2
SCHEMBL5015654 0.81 MEN1 (0.34) MEN1KMT2ALMNACA1CA2

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 3336/4885LMNA 4796/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 MEN1 3129/4885KMT2A 3504/4885LMNA 4459/4885

“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.