SCHEMBL452337

SCHEMBL452337

O=C1CC(c2ccc(F)cc2)=NO1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.68
POLB P06746 2/20 0.42
APAF1 O14727 1/20 0.42
GRK2 P25098 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.36
SORT1 Q99523 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAOB P27338 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
SCHEMBL9782150 0.81 NOTUM (1.00) NOTUMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL789358 0.81 NOTUM (0.68) NOTUMSORT1
SCHEMBL22925624 0.80 NOTUM (0.62) NOTUM
SCHEMBL181974 0.80 NOTUM (0.67) NOTUMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL31178428 0.78 NOTUM (0.65) NOTUMMAPTSORT1PDE3BPDE3A
SCHEMBL14373829 0.77 NOTUM (0.62) NOTUMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20370831 0.77 NOTUM (0.67) NOTUMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11023401 0.77 NOTUM (0.62) NOTUMRAB9ANPC1SORT1
SCHEMBL40478 0.77 NOTUM (0.62) NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL11717156 0.72 NOTUM (0.56) NOTUMSORT1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956220-B2 Imidazo-pyridazine derivatives as casein kinase 1 δ/ϵ inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-01 US disclosed
US-9956220-B2 Imidazo-pyridazine derivatives as casein kinase 1 δ/ϵ inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-01 US disclosed
US-9956220-B2 Imidazo-pyridazine derivatives as casein kinase 1 δ/ϵ inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-01 US disclosed
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-18 US disclosed
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-18 US disclosed
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-18 US disclosed
EP-3157925-A1 IMIDAZO-PYRIDAZNE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS Bristol-Myers Squibb Company (US) 2017-04-26 EP disclosed
WO-2015195880-A1 IMIDAZO-PYRIDAZNE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-23 WO disclosed
WO-2015195880-A1 IMIDAZO-PYRIDAZNE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-23 WO disclosed
US-20120065063-A1 3-Aryl-4-(2,6-dimethylbenzylidene)isoxazol-5(4H)-ones as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 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-20120065063-A1 3-Aryl-4-(2,6-dimethylbenzylidene)isoxazol-5(4H)-ones as Fungicides CYP4X1, CYP4Z1, HAAO NOTUM 1120/4885POLB 3132/4885APAF1 2540/4885
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS CSNK1A1, CSNK1G1, CSNK1E NOTUM 3135/4885POLB 1460/4885APAF1 1498/4885

“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.