SCHEMBL4307640

SCHEMBL4307640

O=C(O)CN1CCN(Cc2ccc3c(c2)CO/C3=C2/C(=O)Nc3ccc(F)cc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDGFRB P09619 6/20 0.36
KIT P10721 6/20 0.36
KDR P35968 6/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
IDO2 Q6ZQW0 2/20 0.36
TOP1 P11387 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
MCHR2 Q969V1 1/20 0.36
MCHR1 Q99705 1/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
LRRK2 Q5S007 1/20 0.35
DRD3 P35462 1/20 0.35
SCN9A Q15858 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
SCHEMBL4307646 1.00 FLT3 (0.38) FLT3MEN1KMT2APDGFRBKIT
SCHEMBL4301864 0.91 KCNJ1 (0.47) FLT3PDGFRBKITKDRKCNJ1
SCHEMBL4301862 0.91 KCNJ1 (0.47) FLT3PDGFRBKITKDRKCNJ1
SCHEMBL4303525 0.89 DRD2 (0.40) DRD2DRD4KCNJ1KCNH2DRD3
SCHEMBL6104466 0.89 DRD2 (0.40) DRD2DRD4KCNJ1KCNH2DRD3
SCHEMBL4305103 0.89 LRRK2 (0.43) FLT3PDGFRBKITKDRKCNJ1
SCHEMBL4305106 0.89 LRRK2 (0.43) FLT3PDGFRBKITKDRKCNJ1
SCHEMBL4311506 0.88 LRRK2 (0.46) FLT3PDGFRBKITKDRIDO1
SCHEMBL4311501 0.88 LRRK2 (0.46) FLT3PDGFRBKITKDRIDO1
SCHEMBL4302869 0.87 PDGFRB (0.40) PDGFRBKDRTOP1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
WO-2010099368-A1 OCULAR IMPLANTS COMPRISING KINASE INHIBITORS ALLERGAN, INC. (US) 2010-09-02 WO disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 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 (4 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-20130267497-A1 KINASE INHIBITORS PTK2, MAP3K6, MAP3K20 FLT3 380/4885MEN1 3831/4885KMT2A 1670/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 FLT3 380/4885MEN1 3831/4885KMT2A 1670/4885
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 FLT3 298/4885MEN1 3222/4885KMT2A 1161/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 FLT3 380/4885MEN1 3831/4885KMT2A 1670/4885

“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.