SCHEMBL3514281

SCHEMBL3514281

O=C(NCCO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.76
ALDH1A1 P00352 1/20 0.76
TP53BP1 Q12888 1/20 0.67
MRGPRX4 Q96LA9 1/20 0.60
TP53 P04637 1/20 0.59
NAMPT P43490 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
P2RX1 P51575 1/20 0.57
LMNA P02545 1/20 0.57
CES2 O00748 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
GPR52 Q9Y2T5 4/20 0.56

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
SCHEMBL3512125 0.91 POLB (0.72) POLBALDH1A1TP53BP1MRGPRX4TP53
SCHEMBL3514277 0.88 POLB (0.76) POLBALDH1A1TP53BP1TP53NAMPT
SCHEMBL6360091 0.86 POLB (1.00) POLBALDH1A1TP53BP1TP53NAMPT
SCHEMBL27970190 0.86 POLB (0.74) POLBALDH1A1TP53BP1MRGPRX4TP53
SCHEMBL3512123 0.85 POLB (0.72) POLBALDH1A1TP53BP1TP53NAMPT
SCHEMBL12201910 0.84 POLB (0.58) POLBALDH1A1TP53BP1
SCHEMBL19133512 0.84 TP53BP1 (0.74) POLBALDH1A1TP53BP1TP53NAMPT
SCHEMBL19133527 0.84 POLB (0.70) POLBALDH1A1TP53BP1MRGPRX4TP53
SCHEMBL6359269 0.84 POLB (0.84) POLBALDH1A1TP53BP1MRGPRX4TP53
SCHEMBL16024734 0.84 POLB (0.74) POLBALDH1A1TP53BP1MRGPRX4TP53

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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB POLB 3390/4885ALDH1A1 1154/4885TP53BP1 3380/4885

“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.