SCHEMBL1366941

SCHEMBL1366941

CCOC(=O)C(C#N)c1cccc(F)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.40
ADRB1 P08588 2/20 0.38
NLRP3 Q96P20 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
ADRB2 P07550 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
SCHEMBL22904394 0.88 KMT2A (0.45) KMT2AMEN1SMN1; SMN2GAATDP1
SCHEMBL22029001 0.86 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1ADRB1
SCHEMBL30708406 0.86 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1ADRB1
SCHEMBL19464224 0.86 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL6522396 0.86 SMN1; SMN2 (0.56) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL22904512 0.84 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL30708366 0.84 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL1154381 0.83 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL12148984 0.81 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL1155014 0.80 TAS1R3 (0.38) KMT2AMEN1SMN1; SMN2GAAALDH1A1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281831-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-09-08 US disclosed
WO-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
WO-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
US-8415356-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
US-8415356-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
US-8415356-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
US-8415373-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
EP-2313391-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-12-26 EP disclosed
EP-2313391-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-12-26 EP disclosed
EP-2342182-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-11-14 EP disclosed
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 WO disclosed
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 WO disclosed
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 EP disclosed
WO-2009156339-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-12-30 WO disclosed
WO-2009156339-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-12-30 WO disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 KMT2A 1850/4885MEN1 3960/4885SMN1; SMN2 4742/4885
US-20220281831-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF CRBN, CRKL, CDR2 KMT2A 1745/4885MEN1 2185/4885SMN1; SMN2 1879/4885

“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.