SCHEMBL4289334

SCHEMBL4289334

NN(C(=O)c1ccccc1)c1[c]cccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRA2C P18825 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7647045 0.81 CES1 (0.38) TSHRTDP1L3MBTL1MAPTPOLB
SCHEMBL6796747 0.80 HPGD (0.40) TSHRTDP1L3MBTL1MAPTPOLB
SCHEMBL4149882 0.79 CES1 (0.35) TSHRTDP1L3MBTL1MAPTPOLB
SCHEMBL482524 0.79 KMT2A (0.45) POLBRECQLALDH1A1HPGDRAB9A
SCHEMBL6797312 0.77 NR3C2 (0.44) TDP1L3MBTL1MAPTPOLBADRA2C
SCHEMBL6793422 0.77 ALDH1A1 (0.38) TSHRTDP1L3MBTL1MAPTPOLB
SCHEMBL11690273 0.75 HSD11B1 (0.39) TSHRTDP1L3MBTL1MAPTALDH1A1
SCHEMBL6795525 0.73 TDP1 (0.61) TDP1L3MBTL1POLBCYP3A4HSD17B10
SCHEMBL4289335 0.73 ADRA2C (0.40) TSHRTDP1L3MBTL1MAPTPOLB
SCHEMBL11379558 0.72 TDP1 (0.46) TSHRTDP1L3MBTL1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US claimed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP claimed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 WO claimed
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US disclosed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP disclosed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 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-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS ATR, ATM, CHEK1 TSHR 2157/4885TDP1 32/4885L3MBTL1 1408/4885

“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.