SCHEMBL10100719

SCHEMBL10100719

Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3csc4ccccc34)cnc2N)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PTGER2 P43116 3/20 0.34
KDR P35968 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
AXL P30530 1/20 0.33
KCNN4 O15554 1/20 0.33
MCHR1 Q99705 2/20 0.32
BACE1 P56817 1/20 0.32
BMPR1B O00238 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1A P08908 2/20 0.32
LTA4H P09960 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL10100450 0.94 NOS3 (0.36) NOS3NOS1NOS2PTGER2KDR
SCHEMBL10100754 0.94 ALDH1A1 (0.36) PTGER2KDRHTR2AHTR2CKIT
SCHEMBL10100567 0.88 MET (0.36) PTGER2KDRHTR2AHTR2CKIT
SCHEMBL10100718 0.86 FYN (0.42) NOS3NOS1NOS2AXLKCNN4
SCHEMBL10100708 0.85 KCNN4 (0.41) HTR2AHTR2CKCNN4MCHR1
SCHEMBL10100769 0.85 MCHR1 (0.39) NOS3NOS1NOS2KDRHTR2A
SCHEMBL10100710 0.85 FYN (0.42) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL10100717 0.85 HRH3 (0.36) KDRAXLKCNN4MCHR1BMPR1B
SCHEMBL10100711 0.84 BMPR1B (0.37) KDRHTR2AHTR2CMCHR1BMPR1B
SCHEMBL10100724 0.84 SMN1; SMN2 (0.37) NOS3NOS1NOS2KDRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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 (1 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 NOS3 2062/4885NOS1 2038/4885NOS2 1676/4885

“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.