SCHEMBL1570182

SCHEMBL1570182

O=C(NCc1c[c]ccc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
NPC1 O15118 2/20 0.61
THRB P10828 1/20 0.56
MEN1 O00255 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EPHX2 P34913 1/20 0.53
GAA P10253 2/20 0.53
CA2 P00918 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL7953890 0.89 HTT (0.59) TSHRNPC1GAACA2ALDH1A1
SCHEMBL5607689 0.85 TSHR (0.70) TSHRNPC1THRBMEN1RAB9A
SCHEMBL7082686 0.84 TSHR (0.73) TSHRNPC1THRBMEN1RAB9A
SCHEMBL27460035 0.84 EPHX2 (0.67) NPC1THRBMEN1RAB9AKMT2A
SCHEMBL354041 0.83 TSHR (0.76) TSHRNPC1THRBMEN1RAB9A
Iodide SCHEMBL15903217 0.81 TSHR (0.74) TSHRNPC1THRBMEN1RAB9A
Hydrochloric Acid SCHEMBL11508166 0.80 TSHR (0.72) TSHRNPC1THRBMEN1RAB9A
SCHEMBL19028142 0.80 TSHR (0.76) TSHRNPC1THRBMEN1RAB9A
SCHEMBL3204774 0.79 LMNA (0.67) TSHRMEN1KMT2AGAACA2
SCHEMBL3918322 0.77 TSHR (0.76) TSHRNPC1THRBMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 TSHR 3154/4885NPC1 1538/4885THRB 2767/4885

“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.