SCHEMBL3514903

SCHEMBL3514903

O=C(O)C1(COc2ccc(Br)cc2)COC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.54
PTGER2 P43116 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
POLB P06746 1/20 0.39
DGAT1 O75907 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR183 P32249 1/20 0.38

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
SCHEMBL1977522 0.85 DRD1 (0.58) DRD1PTGER2HRH4KDM4ESMN1; SMN2
SCHEMBL15537468 0.83 DRD1 (0.55) DRD1PTGER2HRH4RXRARXRB
SCHEMBL29672453 0.78 RXRA (0.42) DRD1PTGER2HRH4KDM4ESMN1; SMN2
SCHEMBL3512098 0.78 TSHR (0.38) DRD1PTGER2HRH4KDM4ESMN1; SMN2
SCHEMBL3515489 0.74 TSHR (0.37) DRD1PTGER2HRH4KDM4ESMN1; SMN2
SCHEMBL10071618 0.74 TSHR (0.37) DRD1PTGER2HRH4KDM4EALDH1A1
SCHEMBL15577850 0.73 ACACB (0.45) KDM4EFFAR1ALDH1A1
SCHEMBL17316324 0.73 TSHR (0.39) DRD1PTGER2HRH4KDM4ESMN1; SMN2
SCHEMBL3512638 0.73 PARP10 (0.42) ALDH1A1MEN1KMT2AMAPT
SCHEMBL9936512 0.72 DRD1 (0.45) DRD1PTGER2HRH4KDM4ESMN1; SMN2

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP 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
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-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 (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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB DRD1 4322/4885PTGER2 1621/4885HRH4 2504/4885
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A DRD1 4325/4885PTGER2 880/4885HRH4 676/4885

“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.