SCHEMBL2201412

SCHEMBL2201412

CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(NCCN3CCOCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.47
CYP3A4 P08684 6/20 0.47
TSHR P16473 4/20 0.47
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 5/20 0.42
CYP2D6 P10635 5/20 0.42
CYP2C19 P33261 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
ALOX15 P16050 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM1 P11229 1/20 0.40
PARP1 P09874 1/20 0.40
EGFR P00533 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
USP2 O75604 2/20 0.38
THRB P10828 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
SCHEMBL2201415 1.00 CYP1A2 (0.47) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL2201012 0.90 PDGFRB (0.47) CYP1A2CYP3A4TSHREGFRFGFR1
SCHEMBL2201014 0.90 PDGFRB (0.47) CYP1A2CYP3A4TSHREGFRFGFR1
SCHEMBL2202760 0.83 LRRK2 (0.41) CYP1A2ALDH1A1CYP2C19
SCHEMBL2202758 0.83 LRRK2 (0.41) CYP1A2ALDH1A1CYP2C19
SCHEMBL12247865 0.79 IDO1 (0.37) ALDH1A1CLK4MEN1KMT2ATDP1
SCHEMBL2196773 0.77 MAPK1 (0.37) MEN1KMT2ATDP1MAPK1NPC1
SCHEMBL2196779 0.77 MAPK1 (0.37) MEN1KMT2ATDP1MAPK1NPC1
SCHEMBL6087237 0.74 LRRK2 (0.46) ALDH1A1KDM4E
SCHEMBL6087236 0.74 LRRK2 (0.46) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 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-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 CYP1A2 1305/4885CYP3A4 1967/4885TSHR 1729/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 CYP1A2 1305/4885CYP3A4 1967/4885TSHR 1729/4885

“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.